2-(3-azanyl-2-oxidanylidene-3H-azepin-1-yl)ethanoic acid

Systemtic Name: 2-(3-azanyl-2-oxidanylidene-3H-azepin-1-yl)ethanoic acid Openeye Name: 2-(3-amino-2-oxo-3H-azepin-1-yl)acetic acid CAS Name: 2-(3-amino-2-oxo-3H-azepin-1-yl)acetic acid IUPAC Name: 2-(3-amino-2-oxo-3H-azepin-1-yl)acetic acid Traditional Name: 2-(3-amino-2-keto-3H-azepin-1-yl)acetic acid Formula: C8H10N2O3 MolecularWeight: 182.1766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(=O)N(C=C1)CC(=O)O)N

Isomeric SMILES

C1=CC(C(=O)N(C=C1)CC(=O)O)N

InChI

InChI=1S/C8H10N2O3/c9-6-3-1-2-4-10(8(6)13)5-7(11)12/h1-4,6H,5,9H2,(H,11,12)