(6E)-6-(6-oxidanylidene-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid hydrate

Systemtic Name: (6E)-6-(6-oxidanylidene-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid hydrate Openeye Name: (6E)-6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid hydrate CAS Name: (6E)-6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid hydrate IUPAC Name: (6E)-6-(6-oxo-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid hydrate Traditional Name: (6E)-6-(6-keto-5H-pyrido[4,3-c][2]benzazepin-11-ylidene)hexanoic acid hydrate Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CCCCCC(=O)O)C3=C(C=CN=C3)NC2=O.O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\CCCCC(=O)O)/C3=C(C=CN=C3)NC2=O.O

InChI

InChI=1S/C19H18N2O3.H2O/c22-18(23)9-3-1-2-6-14-13-7-4-5-8-15(13)19(24)21-17-10-11-20-12-16(14)17;/h4-8,10-12H,1-3,9H2,(H,21,24)(H,22,23);1H2/b14-6+;