[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-bromanylcyclohexa-1,5-dien-1-yl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-bromanylcyclohexa-1,5-dien-1-yl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 2-(4-bromocyclohexa-1,5-dien-1-yl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-bromo-1-cyclohexa-1,5-dienyl)-6-methyl-4-quinolinecarboxylic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 2-(4-bromocyclohexa-1,5-dien-1-yl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-bromocyclohexa-1,5-dien-1-yl)-6-methyl-cinchoninic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C25H18BrClN2O5 MolecularWeight: 541.77782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CCC(C=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CCC(C=C4)Br

InChI

InChI=1S/C25H18BrClN2O5/c1-14-2-9-21-18(10-14)19(12-22(28-21)15-3-6-17(26)7-4-15)25(31)34-13-24(30)16-5-8-20(27)23(11-16)29(32)33/h2-6,8-12,17H,7,13H2,1H3