[(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [(1S)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(1S)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(1S)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C22H18ClN3O5 MolecularWeight: 439.84842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O5/c1-13-7-10-18(19(11-13)26(29)30)25-21(27)20(14-5-3-2-4-6-14)31-22(28)15-8-9-16(23)17(24)12-15/h2-12,20H,24H2,1H3,(H,25,27)/t20-/m0/s1