6-bromanyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[2-(4-nitrophenyl)-2-oxo-ethyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[2-(4-nitrophenyl)-2-oxoethyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[2-(4-nitrophenyl)-2-oxoethyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[2-keto-2-(4-nitrophenyl)ethyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H15BrN2O6 MolecularWeight: 507.2897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H15BrN2O6/c25-16-8-11-18-19(12-16)21(15-4-2-1-3-5-15)22(24(30)31)26(23(18)29)13-20(28)14-6-9-17(10-7-14)27(32)33/h1-12H,13H2,(H,30,31)