4-[3-(2-chlorophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(2-chlorophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-chlorophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(2-chlorophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-chlorophenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(2-chlorophenyl)-3-(4-nitrophenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC(=O)O)C3=CC=CC=C3Cl

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC(=O)O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H16ClN3O5/c20-15-4-2-1-3-14(15)17-11-16(12-5-7-13(8-6-12)23(27)28)21-22(17)18(24)9-10-19(25)26/h1-8,17H,9-11H2,(H,25,26)