(6Z)-6-(9-bromanyl-5-oxidanylidene-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid

Systemtic Name: (6Z)-6-(9-bromanyl-5-oxidanylidene-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid Openeye Name: (6Z)-6-(9-bromo-5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid CAS Name: (6Z)-6-(9-bromo-5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid IUPAC Name: (6Z)-6-(9-bromo-5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid Traditional Name: (6Z)-6-(9-bromo-5-keto-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CCCCCC(=O)O)C3=C(C=CN=C3)C(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1Br)/C(=C/CCCCC(=O)O)/C3=C(C=CN=C3)C(=O)N2

InChI

InChI=1S/C19H17BrN2O3/c20-12-6-7-17-15(10-12)13(4-2-1-3-5-18(23)24)16-11-21-9-8-14(16)19(25)22-17/h4,6-11H,1-3,5H2,(H,22,25)(H,23,24)/b13-4-