4-[(3S)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(3-nitrophenyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5S)-5-(3-nitrophenyl)-3-(p-tolyl)-2-pyrazolin-1-yl]butyrate Formula: C20H18N3O5- MolecularWeight: 380.37402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H19N3O5/c1-13-5-7-14(8-6-13)17-12-18(15-3-2-4-16(11-15)23(27)28)22(21-17)19(24)9-10-20(25)26/h2-8,11,18H,9-10,12H2,1H3,(H,25,26)/p-1/t18-/m0/s1