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

Systemtic Name: 2-azanyl-3-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,3-dihydroimidazol-4-yl]propanoic acid IUPAC Name: 2-amino-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-imidazolin-4-yl]propionic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NC=C(N2)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=O)C=CC1=C2NC=C(N2)CC(C(=O)O)N

InChI

InChI=1S/C12H13N3O3/c13-10(12(17)18)5-8-6-14-11(15-8)7-1-3-9(16)4-2-7/h1-4,6,10,14-15H,5,13H2,(H,17,18)