[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(4-bromophenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-8-methyl-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-8-methyl-cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C25H17BrN2O5 MolecularWeight: 505.31688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H17BrN2O5/c1-15-4-2-7-20-21(13-22(27-24(15)20)16-8-10-18(26)11-9-16)25(30)33-14-23(29)17-5-3-6-19(12-17)28(31)32/h2-13H,14H2,1H3