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

Systemtic Name: 4-azanyl-2-[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[(E)-3-(3-chloro-4-fluoro-phenyl)acryloyl]amino]-4-keto-butyric acid Formula: C13H12ClFN2O4 MolecularWeight: 314.696783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)NC(CC(=O)N)C(=O)O)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClFN2O4/c14-8-5-7(1-3-9(8)15)2-4-12(19)17-10(13(20)21)6-11(16)18/h1-5,10H,6H2,(H2,16,18)(H,17,19)(H,20,21)/b4-2+