2-[[(1E)-1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(1E)-1-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(1E)-1-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(1E)-1-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(1E)-1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(1E)-1-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-phenyl-propionic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C/C(=C\1/C=CC(=O)C=C1O)/NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H17NO4/c1-11(14-8-7-13(19)10-16(14)20)18-15(17(21)22)9-12-5-3-2-4-6-12/h2-8,10,15,18,20H,9H2,1H3,(H,21,22)/b14-11+