[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H21N3O6/c1-12-6-13(2)8-15(7-12)20(26)21-10-19(25)29-11-18(24)22-17-5-4-16(23(27)28)9-14(17)3/h4-9H,10-11H2,1-3H3,(H,21,26)(H,22,24)