(E)-4-[(3S)-3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[(3S)-3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[(3S)-3-(2-furyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[(3S)-3-(2-furanyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-2-butenoate IUPAC Name: (E)-4-[(3S)-3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-[(5S)-5-(2-furyl)-3-phenyl-2-pyrazolin-1-yl]-4-keto-but-2-enoate Formula: C17H13N2O4- MolecularWeight: 309.29612

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)C=CC(=O)[O-])C3=CC=CO3

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CC=C2)C(=O)/C=C/C(=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/h1-10,14H,11H2,(H,21,22)/p-1/b9-8+/t14-/m0/s1