5-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-N-[2-[(4-nitrophenyl)amino]ethyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-N-[2-(4-nitroanilino)ethyl]-2-phenyl-triazole-4-carboxamide CAS Name: 5-methyl-N-[2-(4-nitroanilino)ethyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: 5-methyl-N-[2-(4-nitroanilino)ethyl]-2-phenyltriazole-4-carboxamide Traditional Name: 5-methyl-N-[2-(4-nitroanilino)ethyl]-2-phenyl-triazole-4-carboxamide Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H18N6O3/c1-13-17(22-23(21-13)15-5-3-2-4-6-15)18(25)20-12-11-19-14-7-9-16(10-8-14)24(26)27/h2-10,19H,11-12H2,1H3,(H,20,25)