5-(dimethylaminomethyl)-1-[4-nitro-2-(phenylcarbonyl)phenyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: 5-(dimethylaminomethyl)-1-[4-nitro-2-(phenylcarbonyl)phenyl]-1,2,4-triazole-3-carboxamide Openeye Name: 1-(2-benzoyl-4-nitro-phenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(2-benzoyl-4-nitrophenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(2-benzoyl-4-nitrophenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carboxamide Traditional Name: 1-(2-benzoyl-4-nitro-phenyl)-5-(dimethylaminomethyl)-1,2,4-triazole-3-carboxamide Formula: C19H18N6O4 MolecularWeight: 394.38402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CN(C)CC1=NC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H18N6O4/c1-23(2)11-16-21-19(18(20)27)22-24(16)15-9-8-13(25(28)29)10-14(15)17(26)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,20,27)