Primary record
QPSKREVTKUBJMA-UHFFFAOYSA-N
- CAS
- 173864-45-4
- PubChem CID
- 10811775
- SMILES
- CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)OC
- Molecular Formula
- C21H21NO8
- Molecular Weight
- 415.398
- Exact Mass
- 415.1267
- InChI
- InChI=1S/C21H21NO8/c1-3-28-21(24)19(20(23)13-4-7-15(27-2)8-5-13)16(11-22(25)26)14-6-9-17-18(10-14)30-12-29-17/h4-10,16,19H,3,11-12H2,1-2H3
- InChIKey
- QPSKREVTKUBJMA-UHFFFAOYSA-N
- LogP
- 2.8464
- TPSA
- 114.2
Names and synonyms
- SCHEMBL4998200
- QPSKREVTKUBJMA-UHFFFAOYSA-N
- CID10811775
- 173864-45-4
- DB-334059
- Ethyl 2-(4-methoxybenzoyl)-3-(1,3-benzodioxol-5-yl)-4-nitro-butanoate
- Ethyl 2-(4-methoxybenzoyl)-3-(3,4-methylenedioxy-phenyl)-4-nitro-butanoate
- 1,3-Benzodioxole-5-propanoic acid, alpha-(4-methoxybenzoyl)-beta-(nitromethyl)-, ethyl ester
- Ethyl 2-(4-Methoxybenzoyl)-3-(1,3-benzodioxol-5-yl)-4-nitrobutanoate
- Ethyl 2-(4-methoxybenzoyl)-3-(3.4-methylenedioxy-phenyl)-4-nitro-butanoate
- ethyl 2-(4-methoxybenzoyl)-4-nitromethyl-3-(1,3-benzodioxol-5-yl)butyrate
- ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxybenzoyl)-4-nitrobutanoate
- Ethyl 3-benzo[1,3]dioxol-5-yl-2-(4-methoxybenzoyl)-4-nitro-butanoate
- 1,3-Benzodioxole-5-propanoic acid, -(4-methoxybenzoyl)--(nitromethyl)-, ethyl ester