[(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1R)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1R)-2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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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=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O5/c1-14-7-9-16(10-8-14)24-21(26)20(15-5-3-2-4-6-15)30-22(27)18-13-17(25(28)29)11-12-19(18)23/h2-13,20H,23H2,1H3,(H,24,26)/t20-/m1/s1