[(2R)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(benzhydrylamino)-1-methyl-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(2R)-1-[(diphenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1R)-2-(benzhydrylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5/c1-15(31-23(28)18-12-13-19(24)20(14-18)26(29)30)22(27)25-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,24H2,1H3,(H,25,27)/t15-/m1/s1