(E)-3-[4-[(2-azanyl-2-oxidanylidene-ethyl)-methyl-amino]-3-fluoranyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(2-azanyl-2-oxidanylidene-ethyl)-methyl-amino]-3-fluoranyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(2-amino-2-oxo-ethyl)-methyl-amino]-3-fluoro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(2-amino-2-oxoethyl)-methylamino]-3-fluorophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(2-amino-2-oxoethyl)-methylamino]-3-fluorophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(2-amino-2-keto-ethyl)-methyl-amino]-3-fluoro-phenyl]acrylic acid Formula: C12H13FN2O3 MolecularWeight: 252.241623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13FN2O3/c1-15(7-11(14)16)10-4-2-8(6-9(10)13)3-5-12(17)18/h2-6H,7H2,1H3,(H2,14,16)(H,17,18)/b5-3+