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

Systemtic Name: [(1R)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(1R)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H15Cl2N3O5 MolecularWeight: 460.2669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C21H15Cl2N3O5/c22-15-8-6-13(10-17(15)24)21(28)31-19(12-4-2-1-3-5-12)20(27)25-18-9-7-14(26(29)30)11-16(18)23/h1-11,19H,24H2,(H,25,27)/t19-/m1/s1