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

Systemtic Name: 5-(dimethylaminomethyl)-N,N-dimethyl-1-[4-nitro-2-(phenylcarbonyl)phenyl]-1,2,4-triazole-3-carboxamide Openeye Name: 1-(2-benzoyl-4-nitro-phenyl)-5-(dimethylaminomethyl)-N,N-dimethyl-1,2,4-triazole-3-carboxamide CAS Name: 1-(2-benzoyl-4-nitrophenyl)-5-(dimethylaminomethyl)-N,N-dimethyl-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(2-benzoyl-4-nitrophenyl)-5-(dimethylaminomethyl)-N,N-dimethyl-1,2,4-triazole-3-carboxamide Traditional Name: 1-(2-benzoyl-4-nitro-phenyl)-5-(dimethylaminomethyl)-N,N-dimethyl-1,2,4-triazole-3-carboxamide Formula: C21H22N6O4 MolecularWeight: 422.43718

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O4/c1-24(2)13-18-22-20(21(29)25(3)4)23-26(18)17-11-10-15(27(30)31)12-16(17)19(28)14-8-6-5-7-9-14/h5-12H,13H2,1-4H3