3-[2-[[(3E)-4-azanyl-3-hydroxyimino-2-methyl-cyclohexa-1,5-dien-1-yl]carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-[2-[[(3E)-4-azanyl-3-hydroxyimino-2-methyl-cyclohexa-1,5-dien-1-yl]carbonylamino]phenyl]propanoic acid Openeye Name: 3-[2-[[(3E)-4-amino-3-hydroxyimino-2-methyl-cyclohexa-1,5-diene-1-carbonyl]amino]phenyl]propanoic acid CAS Name: 3-[2-[[[(3E)-4-amino-3-hydroxyimino-2-methyl-1-cyclohexa-1,5-dienyl]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[2-[[(3E)-4-amino-3-hydroxyimino-2-methylcyclohexa-1,5-diene-1-carbonyl]amino]phenyl]propanoic acid Traditional Name: 3-[2-[[(3E)-4-amino-3-hydroximino-2-methyl-cyclohexa-1,5-diene-1-carbonyl]amino]phenyl]propionic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(C1=NO)N)C(=O)NC2=CC=CC=C2CCC(=O)O

Isomeric SMILES

CC\1=C(C=CC(/C1=N/O)N)C(=O)NC2=CC=CC=C2CCC(=O)O

InChI

InChI=1S/C17H19N3O4/c1-10-12(7-8-13(18)16(10)20-24)17(23)19-14-5-3-2-4-11(14)6-9-15(21)22/h2-5,7-8,13,24H,6,9,18H2,1H3,(H,19,23)(H,21,22)/b20-16+