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

Systemtic Name: [(1R)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [(1R)-2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [(1R)-2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN3O5/c1-23-11-5-8-16(23)20(26)29-18(13-6-3-2-4-7-13)19(25)22-14-9-10-15(21)17(12-14)24(27)28/h2-12,18H,1H3,(H,22,25)/t18-/m1/s1