4-azanyl-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(E)-3-(2-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[(E)-3-(2-fluorophenyl)acryloyl]amino]-4-keto-butyric acid Formula: C13H13FN2O4 MolecularWeight: 280.251723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)NC(CC(=O)N)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C(=O)NC(CC(=O)N)C(=O)O)F

InChI

InChI=1S/C13H13FN2O4/c14-9-4-2-1-3-8(9)5-6-12(18)16-10(13(19)20)7-11(15)17/h1-6,10H,7H2,(H2,15,17)(H,16,18)(H,19,20)/b6-5+