sodium 2-[(3S)-3-azanyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: sodium 2-[(3S)-3-azanyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: sodium 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: sodium 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate IUPAC Name: sodium 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: sodium 2-[(3S)-3-amino-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Formula: C12H13N2NaO3 MolecularWeight: 256.23299

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1N)CC(=O)[O-].[Na+]

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)[C@H]1N)CC(=O)[O-].[Na+]

InChI

InChI=1S/C12H14N2O3.Na/c13-9-6-5-8-3-1-2-4-10(8)14(12(9)17)7-11(15)16;/h1-4,9H,5-7,13H2,(H,15,16);/q;+1/p-1/t9-;/m0./s1