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

Systemtic Name: [(1R)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1R)-2-keto-2-(o-phenetidino)-1-phenyl-ethyl] ester Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C23H21N3O6/c1-2-31-20-11-7-6-10-19(20)25-22(27)21(15-8-4-3-5-9-15)32-23(28)17-14-16(26(29)30)12-13-18(17)24/h3-14,21H,2,24H2,1H3,(H,25,27)/t21-/m1/s1