2-(8-carboxy-3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethanoate

Systemtic Name: 2-(8-carboxy-3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)ethanoate Openeye Name: 2-(8-carboxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate CAS Name: 2-(8-carboxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate IUPAC Name: 2-(8-carboxy-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate Traditional Name: 2-(8-carboxy-3-keto-1,2,4,5-tetrahydro-2-benzazepin-4-yl)acetate Formula: C13H12NO5- MolecularWeight: 262.23808

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NCC2=C1C=CC(=C2)C(=O)O)CC(=O)[O-]

Isomeric SMILES

C1C(C(=O)NCC2=C1C=CC(=C2)C(=O)O)CC(=O)[O-]

InChI

InChI=1S/C13H13NO5/c15-11(16)5-9-3-7-1-2-8(13(18)19)4-10(7)6-14-12(9)17/h1-2,4,9H,3,5-6H2,(H,14,17)(H,15,16)(H,18,19)/p-1