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

Systemtic Name: [(1R)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-oxidanylbenzoate Openeye Name: [(1R)-2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [(1R)-2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H15ClN2O6 MolecularWeight: 426.8066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O6/c22-17-10-9-15(12-18(17)24(28)29)23-20(26)19(13-5-2-1-3-6-13)30-21(27)14-7-4-8-16(25)11-14/h1-12,19,25H,(H,23,26)/t19-/m1/s1