N-[(1-methylpyrazol-4-yl)methyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[(1-methylpyrazol-4-yl)methyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(1-methylpyrazol-4-yl)methyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[(1-methylpyrazol-4-yl)methyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O4/c1-20-10-12(9-18-20)8-17-16(23)13-6-7-21(19-13)11-26-15-5-3-2-4-14(15)22(24)25/h2-7,9-10H,8,11H2,1H3,(H,17,23)