[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N2O7/c1-27-18-8-4-12(10-19(18)28-2)17(23)11-29-20(24)13-3-7-15(21-14-5-6-14)16(9-13)22(25)26/h3-4,7-10,14,21H,5-6,11H2,1-2H3