N-[(3,4-diethoxyphenyl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C18H21N7O5 MolecularWeight: 415.40324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-])OCC

InChI

InChI=1S/C18H21N7O5/c1-3-29-15-6-5-13(9-16(15)30-4-2)10-19-17(26)14-7-8-23(21-14)12-24-11-20-18(22-24)25(27)28/h5-9,11H,3-4,10,12H2,1-2H3,(H,19,26)