2-azanyl-3-[3-(1,3-dihydroimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-methyl-propanoic acid

Systemtic Name: 2-azanyl-3-[3-(1,3-dihydroimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-methyl-propanoic acid Openeye Name: 2-amino-3-[3-(1,3-dihydroimidazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-2-methyl-propanoic acid CAS Name: 2-amino-3-[3-(1,3-dihydroimidazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-2-methylpropanoic acid IUPAC Name: 2-amino-3-[3-(1,3-dihydroimidazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2-methylpropanoic acid Traditional Name: 2-amino-3-[3-(4-imidazolin-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-2-methyl-propionic acid Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C2NC=CN2)C(=O)C=C1)(C(=O)O)N

Isomeric SMILES

CC(CC1=CC(=C2NC=CN2)C(=O)C=C1)(C(=O)O)N

InChI

InChI=1S/C13H15N3O3/c1-13(14,12(18)19)7-8-2-3-10(17)9(6-8)11-15-4-5-16-11/h2-6,15-16H,7,14H2,1H3,(H,18,19)