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

Systemtic Name: [(1S)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1S)-2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(1S)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1S)-2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H15ClN4O7 MolecularWeight: 470.8194

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

InChI

InChI=1S/C21H15ClN4O7/c22-16-11-14(26(31)32)7-9-18(16)24-20(27)19(12-4-2-1-3-5-12)33-21(28)15-10-13(25(29)30)6-8-17(15)23/h1-11,19H,23H2,(H,24,27)/t19-/m0/s1