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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-nitro-4-oxidanylidene-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-nitro-4-oxo-butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-nitro-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-nitro-4-oxobutanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-keto-2-(4-methoxyphenyl)-4-nitro-butyric acid ethyl ester Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)OC)C(C2=CC3=C(C=C2)OCO3)C(=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)OC)C(C2=CC3=C(C=C2)OCO3)C(=O)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO8/c1-3-27-20(23)18(12-4-7-14(26-2)8-5-12)17(19(22)21(24)25)13-6-9-15-16(10-13)29-11-28-15/h4-10,17-18H,3,11H2,1-2H3