(E)-4-[[3-(furan-2-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3-(furan-2-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[3-(2-furyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-(2-furanyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-(2-furyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-keto-but-2-enoic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CO2)C3=CC=CC=C3)C(=O)C=CC(=O)O

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CO2)C3=CC=CC=C3)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C19H17N3O4/c1-21(17(23)9-10-18(24)25)12-14-13-22(15-6-3-2-4-7-15)20-19(14)16-8-5-11-26-16/h2-11,13H,12H2,1H3,(H,24,25)/b10-9+