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

Systemtic Name: 2-azanyl-3-[(2Z)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[(2Z)-2-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[(2Z)-2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1,3-dihydroimidazol-4-yl]propanoic acid IUPAC Name: 2-amino-3-[(2Z)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[(2Z)-2-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-4-imidazolin-4-yl]propionic acid Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C\1=CC(=O)C(=C/C1=C\2/NC=C(N2)CC(C(=O)O)N)O

InChI

InChI=1S/C12H13N3O4/c13-8(12(18)19)4-7-5-14-11(15-7)6-1-2-9(16)10(17)3-6/h1-3,5,8,14-15,17H,4,13H2,(H,18,19)/b11-6-