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

Systemtic Name: 6-bromanyl-2-[(2-nitrophenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(2-nitrophenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(2-nitrophenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(2-nitrophenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-(2-nitrobenzyl)-4-phenyl-isoquinoline-3-carboxylic acid Formula: C23H15BrN2O5 MolecularWeight: 479.2796

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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)CC4=CC=CC=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)CC4=CC=CC=C4[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H15BrN2O5/c24-16-10-11-17-18(12-16)20(14-6-2-1-3-7-14)21(23(28)29)25(22(17)27)13-15-8-4-5-9-19(15)26(30)31/h1-12H,13H2,(H,28,29)