[2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxo-ethyl] 6-bromo-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[4-[(4-nitrophenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxoethyl] 6-bromo-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-(2-thienyl)cinchoninic acid [2-keto-2-[4-(4-nitrobenzoyl)oxyphenyl]ethyl] ester Formula: C30H19BrN2O7S MolecularWeight: 631.45006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H19BrN2O7S/c1-17-13-20(31)14-23-24(15-25(32-28(17)23)27-3-2-12-41-27)30(36)39-16-26(34)18-6-10-22(11-7-18)40-29(35)19-4-8-21(9-5-19)33(37)38/h2-15H,16H2,1H3