[2-(4-nitro-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-nitro-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(4-nitro-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-(4-nitro-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitro-1H-pyrrol-2-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-keto-2-(4-nitro-1H-pyrrol-2-yl)ethyl] ester Formula: C22H14ClN3O5 MolecularWeight: 435.81666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C4=CC(=CN4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)C4=CC(=CN4)[N+](=O)[O-]

InChI

InChI=1S/C22H14ClN3O5/c23-14-7-5-13(6-8-14)19-10-17(16-3-1-2-4-18(16)25-19)22(28)31-12-21(27)20-9-15(11-24-20)26(29)30/h1-11,24H,12H2