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

Systemtic Name: 1-[(2-nitrophenoxy)methyl]-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: 1-[(2-nitrophenoxy)methyl]-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-3-pyrazolecarboxamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C20H17N7O4 MolecularWeight: 419.39348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H17N7O4/c28-19(22-20-21-13-26(24-20)12-15-6-2-1-3-7-15)16-10-11-25(23-16)14-31-18-9-5-4-8-17(18)27(29)30/h1-11,13H,12,14H2,(H,22,24,28)