2-[6-azanyl-3-(hydroxymethyl)-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoic acid

Systemtic Name: 2-[6-azanyl-3-(hydroxymethyl)-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoic acid Openeye Name: 2-[6-amino-3-(hydroxymethyl)-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid CAS Name: 2-[6-amino-3-(hydroxymethyl)-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid IUPAC Name: 2-[6-amino-3-(hydroxymethyl)-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid Traditional Name: 2-(6-amino-7-keto-3-methylol-5,6-dihydro-2H-azepin-1-yl)acetic acid Formula: C9H14N2O4 MolecularWeight: 214.21846

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CN(C(=O)C1N)CC(=O)O)CO

Isomeric SMILES

C1C=C(CN(C(=O)C1N)CC(=O)O)CO

InChI

InChI=1S/C9H14N2O4/c10-7-2-1-6(5-12)3-11(9(7)15)4-8(13)14/h1,7,12H,2-5,10H2,(H,13,14)