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

Systemtic Name: [(1R)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyridine-4-carboxylate Openeye Name: [(1R)-2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1R)-2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C20H14ClN3O5 MolecularWeight: 411.79526

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O5/c21-16-7-6-15(12-17(16)24(27)28)23-19(25)18(13-4-2-1-3-5-13)29-20(26)14-8-10-22-11-9-14/h1-12,18H,(H,23,25)/t18-/m1/s1