N-cyclohexyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-cyclohexyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-cyclohexyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-cyclohexyl-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-cyclohexyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-cyclohexyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4/c22-17(18-13-6-2-1-3-7-13)14-10-11-20(19-14)12-25-16-9-5-4-8-15(16)21(23)24/h4-5,8-11,13H,1-3,6-7,12H2,(H,18,22)