[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O6/c1-12(2)19(24-20(27)14-5-7-15(22)8-6-14)21(28)31-11-18(26)23-16-9-4-13(3)17(10-16)25(29)30/h4-10,12,19H,11H2,1-3H3,(H,23,26)(H,24,27)