4-[3-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[3-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[3-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[3-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[3-(2-chlorophenyl)-5-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[5-(2-chlorophenyl)-3-(4-nitrophenyl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H15ClN3O5- MolecularWeight: 400.7925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C=C(NN2C(=O)CCC(=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2C=C(NN2C(=O)CCC(=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])Cl

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/h1-8,11,17,21H,9-10H2,(H,25,26)/p-1