[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C24H19ClN2O6 MolecularWeight: 466.87046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H19ClN2O6/c1-14-6-5-7-17(12-14)26-23(29)15(2)33-24(30)19-9-4-3-8-18(19)22(28)16-10-11-20(25)21(13-16)27(31)32/h3-13,15H,1-2H3,(H,26,29)/t15-/m0/s1