4-[2-(butylamino)ethanoyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-(butylamino)ethanoyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one Openeye Name: 4-[2-(butylamino)acetyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one CAS Name: 4-[2-(butylamino)-1-oxoethyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[2-(butylamino)acetyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one Traditional Name: 4-[2-(butylamino)acetyl]-2-(4-nitrophenyl)-5-phenyl-3-pyrazolin-3-one Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-2-3-13-22-14-18(26)19-20(15-7-5-4-6-8-15)23-24(21(19)27)16-9-11-17(12-10-16)25(28)29/h4-12,22-23H,2-3,13-14H2,1H3