[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 2-[(2-methoxybenzoyl)amino]acetate CAS Name: 2-[[(2-methoxyphenyl)-oxomethyl]amino]acetic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate Traditional Name: 2-(o-anisoylamino)acetic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2OC)C

InChI

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