2-[(4S)-4-acetamido-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]ethanoic acid

Systemtic Name: 2-[(4S)-4-acetamido-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]ethanoic acid Openeye Name: 2-[(4S)-4-acetamido-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid CAS Name: 2-[(4S)-4-acetamido-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid IUPAC Name: 2-[(4S)-4-acetamido-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid Traditional Name: 2-[(4S)-4-acetamido-3-keto-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC2=CC=CC=C2CN(C1=O)CC(=O)O

Isomeric SMILES

CC(=O)N[C@H]1CC2=CC=CC=C2CN(C1=O)CC(=O)O

InChI

InChI=1S/C14H16N2O4/c1-9(17)15-12-6-10-4-2-3-5-11(10)7-16(14(12)20)8-13(18)19/h2-5,12H,6-8H2,1H3,(H,15,17)(H,18,19)/t12-/m0/s1