(4-nitrophenyl)methyl 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(4-ethylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)-6-methyl-cinchoninic acid (4-nitrobenzyl) ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H22N2O4/c1-3-18-5-9-20(10-6-18)25-15-23(22-14-17(2)4-13-24(22)27-25)26(29)32-16-19-7-11-21(12-8-19)28(30)31/h4-15H,3,16H2,1-2H3