[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-6-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methylquinoline-4-carboxylate Traditional Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C31H25N3O5 MolecularWeight: 519.5473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)N5C(=CC=C5C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)N5C(=CC=C5C)C

InChI

InChI=1S/C31H25N3O5/c1-19-7-14-28-26(15-19)27(31(36)39-18-30(35)23-5-4-6-25(16-23)34(37)38)17-29(32-28)22-10-12-24(13-11-22)33-20(2)8-9-21(33)3/h4-17H,18H2,1-3H3