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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxybenzoyl)-4-nitro-butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxybenzoyl)-4-nitrobutanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-2-veratroyl-butyric acid ethyl ester Formula: C22H23NO9 MolecularWeight: 445.41932

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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)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)OC

InChI

InChI=1S/C22H23NO9/c1-4-30-22(25)20(21(24)14-6-7-16(28-2)18(10-14)29-3)15(11-23(26)27)13-5-8-17-19(9-13)32-12-31-17/h5-10,15,20H,4,11-12H2,1-3H3