N-butyl-5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-butyl-5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-butyl-5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-butyl-5-(3-methoxyphenyl)-2-(4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-butyl-5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-butyl-5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22N4O4/c1-3-4-12-22-21(26)20-14-19(15-6-5-7-18(13-15)29-2)23-24(20)16-8-10-17(11-9-16)25(27)28/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,26)