4-[3-(5-bromanyl-2-oxidanyl-phenyl)imino-1-oxidanylidene-2-benzazepin-2-yl]benzoic acid

Systemtic Name: 4-[3-(5-bromanyl-2-oxidanyl-phenyl)imino-1-oxidanylidene-2-benzazepin-2-yl]benzoic acid Openeye Name: 4-[3-(5-bromo-2-hydroxy-phenyl)imino-1-oxo-2-benzazepin-2-yl]benzoic acid CAS Name: 4-[3-(5-bromo-2-hydroxyphenyl)imino-1-oxo-2-benzazepin-2-yl]benzoic acid IUPAC Name: 4-[3-(5-bromo-2-hydroxyphenyl)imino-1-oxo-2-benzazepin-2-yl]benzoic acid Traditional Name: 4-[3-(5-bromo-2-hydroxy-phenyl)imino-1-keto-2-benzazepin-2-yl]benzoic acid Formula: C23H15BrN2O4 MolecularWeight: 463.2802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=NC3=C(C=CC(=C3)Br)O)N(C2=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=NC3=C(C=CC(=C3)Br)O)N(C2=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H15BrN2O4/c24-16-8-11-20(27)19(13-16)25-21-12-7-14-3-1-2-4-18(14)22(28)26(21)17-9-5-15(6-10-17)23(29)30/h1-13,27H,(H,29,30)