[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(3,4-dimethylphenyl)cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C26H19BrN2O5 MolecularWeight: 519.34346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H19BrN2O5/c1-15-6-7-17(10-16(15)2)24-13-22(21-12-19(27)8-9-23(21)28-24)26(31)34-14-25(30)18-4-3-5-20(11-18)29(32)33/h3-13H,14H2,1-2H3