N-butyl-5-(1-methylpyrrol-2-yl)-2-(4-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-butyl-5-(1-methylpyrrol-2-yl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-butyl-5-(1-methylpyrrol-2-yl)-2-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-butyl-5-(1-methyl-2-pyrrolyl)-2-(4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-butyl-5-(1-methylpyrrol-2-yl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-butyl-5-(1-methylpyrrol-2-yl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CN3C

Isomeric SMILES

CCCCNC(=O)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CN3C

InChI

InChI=1S/C19H21N5O3/c1-3-4-11-20-19(25)18-13-16(17-6-5-12-22(17)2)21-23(18)14-7-9-15(10-8-14)24(26)27/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,25)