N-(2-butoxy-5-methoxy-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-(2-butoxy-5-methoxy-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-(2-butoxy-5-methoxy-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-(2-butoxy-5-methoxyphenyl)-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(2-butoxy-5-methoxyphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-(2-butoxy-5-methoxy-phenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)OC)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)OC)NC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c1-3-4-12-30-20-9-8-17(29-2)14-19(20)22-21(26)18-10-11-24(23-18)15-6-5-7-16(13-15)25(27)28/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,26)