ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)carbonyl-4-nitro-butanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxybenzoyl)-4-nitro-butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxybenzoyl)-4-nitrobutanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-2-p-anisoyl-butyric acid ethyl ester Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)OC

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