N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-2-phenyl-triazole-4-carboxamide Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=NN(N=C2)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=NN(N=C2)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N5O5/c1-28-17-10-13(16(24(26)27)11-18(17)29-2)8-9-20-19(25)15-12-21-23(22-15)14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,20,25)