N-[1-(4-methylphenyl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-(4-methylphenyl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-nitrophenoxy)methyl]-N-[1-(p-tolyl)propyl]pyrazole-3-carboxamide CAS Name: N-[1-(4-methylphenyl)propyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-(4-methylphenyl)propyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-nitrophenoxy)methyl]-N-[1-(p-tolyl)propyl]pyrazole-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

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