[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(5-ethylthiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(5-ethylthiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(5-ethyl-2-thienyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(5-ethyl-2-thiophenyl)-6,8-dimethyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(5-ethylthiophen-2-yl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(5-ethyl-2-thienyl)-6,8-dimethyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C26H22N2O5S/c1-4-19-8-9-24(34-19)22-13-21(20-11-15(2)10-16(3)25(20)27-22)26(30)33-14-23(29)17-6-5-7-18(12-17)28(31)32/h5-13H,4,14H2,1-3H3