N-[(4-methyl-3-nitro-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

Systemtic Name: N-[(4-methyl-3-nitro-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Openeye Name: N-[(4-methyl-3-nitro-phenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine CAS Name: N-[(4-methyl-3-nitrophenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine IUPAC Name: N-[(4-methyl-3-nitrophenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine Traditional Name: (4-methyl-3-nitro-benzyl)-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amine Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(C)C2=NN=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(C)C2=NN=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O2/c1-9-4-5-11(6-12(9)18(19)20)7-14-10(2)13-16-15-8-17(13)3/h4-6,8,10,14H,7H2,1-3H3