2-[[(E)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]propanedioic acid

Systemtic Name: 2-[[(E)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]propanedioic acid Openeye Name: 2-[[(E)-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]propanedioic acid CAS Name: 2-[[(E)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]propanedioic acid IUPAC Name: 2-[[(E)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]propanedioic acid Traditional Name: 2-[[(E)-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]malonic acid Formula: C16H12FNO5 MolecularWeight: 317.268583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C=C(C=CC2=O)F)NC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\2/C=C(C=CC2=O)F)/NC(C(=O)O)C(=O)O

InChI

InChI=1S/C16H12FNO5/c17-10-6-7-12(19)11(8-10)13(9-4-2-1-3-5-9)18-14(15(20)21)16(22)23/h1-8,14,18H,(H,20,21)(H,22,23)/b13-11+