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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxybenzoyl)-4-nitro-butanoate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxybenzoyl)-4-nitrobutanoate Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(nitromethyl)-2-p-anisoyl-butyric acid ethyl ester Formula: C22H23NO8 MolecularWeight: 429.41992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC1=CC2=C(C=C1)OCO2)C[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C(C(CC1=CC2=C(C=C1)OCO2)C[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23NO8/c1-3-29-22(25)20(21(24)15-5-7-17(28-2)8-6-15)16(12-23(26)27)10-14-4-9-18-19(11-14)31-13-30-18/h4-9,11,16,20H,3,10,12-13H2,1-2H3