[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]acetate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]acetic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate Traditional Name: 2-(p-anisoylamino)acetic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H21N3O7/c1-12-8-16(17(23(27)28)9-13(12)2)22-18(24)11-30-19(25)10-21-20(26)14-4-6-15(29-3)7-5-14/h4-9H,10-11H2,1-3H3,(H,21,26)(H,22,24)