2-azanyl-3-(5-methyl-2-oxidanyl-3-oxidanylidene-cyclohepta-1,4,6-trien-1-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(5-methyl-2-oxidanyl-3-oxidanylidene-cyclohepta-1,4,6-trien-1-yl)propanoic acid Openeye Name: 2-amino-3-(2-hydroxy-5-methyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)propanoic acid CAS Name: 2-amino-3-(2-hydroxy-5-methyl-3-oxo-1-cyclohepta-1,4,6-trienyl)propanoic acid IUPAC Name: 2-amino-3-(2-hydroxy-5-methyl-3-oxocyclohepta-1,4,6-trien-1-yl)propanoic acid Traditional Name: 2-amino-3-(2-hydroxy-3-keto-5-methyl-cyclohepta-1,4,6-trien-1-yl)propionic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-6-2-3-7(5-8(12)11(15)16)10(14)9(13)4-6/h2-4,8H,5,12H2,1H3,(H,13,14)(H,15,16)