4-[(3S)-3-(furan-2-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[(3S)-3-(furan-2-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[(3S)-3-(2-furyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxo-but-2-enoic acid CAS Name: 4-[(3S)-3-(2-furanyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxo-2-butenoic acid IUPAC Name: 4-[(3S)-3-(furan-2-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid Traditional Name: 4-[(5S)-5-(2-furyl)-3-phenyl-3-pyrazolin-1-yl]-4-keto-but-2-enoic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(N(N2)C(=O)C=CC(=O)O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)C=CC(=O)O)C3=CC=CO3

InChI

InChI=1S/C17H14N2O4/c20-16(8-9-17(21)22)19-14(15-7-4-10-23-15)11-13(18-19)12-5-2-1-3-6-12/h1-11,14,18H,(H,21,22)/t14-/m0/s1