[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C20H21N3O9 MolecularWeight: 447.39544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O9/c1-29-13-5-6-14(15(9-13)23(27)28)22-18(24)11-32-19(25)10-21-20(26)12-4-7-16(30-2)17(8-12)31-3/h4-9H,10-11H2,1-3H3,(H,21,26)(H,22,24)