2-(3-azido-2-oxidanylidene-4,5,5a,6-tetrahydro-3H-1-benzazepin-1-yl)ethanoic acid

Systemtic Name: 2-(3-azido-2-oxidanylidene-4,5,5a,6-tetrahydro-3H-1-benzazepin-1-yl)ethanoic acid Openeye Name: 2-(3-azido-2-oxo-4,5,5a,6-tetrahydro-3H-1-benzazepin-1-yl)acetic acid CAS Name: 2-(3-azido-2-oxo-4,5,5a,6-tetrahydro-3H-1-benzazepin-1-yl)acetic acid IUPAC Name: 2-(3-azido-2-oxo-4,5,5a,6-tetrahydro-3H-1-benzazepin-1-yl)acetic acid Traditional Name: 2-(3-azido-2-keto-4,5,5a,6-tetrahydro-3H-1-benzazepin-1-yl)acetic acid Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C2=CC=CCC21)CC(=O)O)N=[N+]=[N-]

Isomeric SMILES

C1CC(C(=O)N(C2=CC=CCC21)CC(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C12H14N4O3/c13-15-14-9-6-5-8-3-1-2-4-10(8)16(12(9)19)7-11(17)18/h1-2,4,8-9H,3,5-7H2,(H,17,18)