3-[(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 3-[(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]furan-2-carboxylic acid Openeye Name: 3-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]furan-2-carboxylic acid CAS Name: 3-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 3-[(2-keto-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-2-furoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1)CC3=C(OC=C3)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1)CC3=C(OC=C3)C(=O)O

InChI

InChI=1S/C16H15NO4/c18-14-7-3-5-11-4-1-2-6-13(11)17(14)10-12-8-9-21-15(12)16(19)20/h1-2,4,6,8-9H,3,5,7,10H2,(H,19,20)