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

Systemtic Name: (E)-4-[(3S)-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[(3S)-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[(3S)-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-2-butenoate IUPAC Name: (E)-4-[(3S)-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[(5S)-5-(3-nitrophenyl)-3-phenyl-2-pyrazolin-1-yl]but-2-enoate Formula: C19H14N3O5- MolecularWeight: 364.33156

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CC=C2)C(=O)/C=C/C(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5/c23-18(9-10-19(24)25)21-17(14-7-4-8-15(11-14)22(26)27)12-16(20-21)13-5-2-1-3-6-13/h1-11,17H,12H2,(H,24,25)/p-1/b10-9+/t17-/m0/s1