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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O6/c1-12-7-14(5-6-16(12)23(27)28)19(26)21-10-18(25)29-11-17(24)22-15-4-2-3-13(8-15)9-20/h2-8H,10-11H2,1H3,(H,21,26)(H,22,24)