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

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]ethanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]acetate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]acetic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate Traditional Name: 2-[(4-chlorobenzoyl)amino]acetic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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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=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O6/c1-11-2-7-14(22(26)27)8-15(11)21-16(23)10-28-17(24)9-20-18(25)12-3-5-13(19)6-4-12/h2-8H,9-10H2,1H3,(H,20,25)(H,21,23)