4-[(3S)-3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(1,3-benzodioxol-5-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(1,3-benzodioxol-5-yl)-3-phenyl-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C20H17N2O5- MolecularWeight: 365.35938

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5/c23-19(8-9-20(24)25)22-16(11-15(21-22)13-4-2-1-3-5-13)14-6-7-17-18(10-14)27-12-26-17/h1-7,10,16H,8-9,11-12H2,(H,24,25)/p-1/t16-/m0/s1