1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-nitro-phenyl]-N-methyl-methanamine

Systemtic Name: 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-nitro-phenyl]-N-methyl-methanamine Openeye Name: 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-nitro-phenyl]-N-methyl-methanamine CAS Name: 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-nitrophenyl]-N-methylmethanamine IUPAC Name: 1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-nitrophenyl]-N-methylmethanamine Traditional Name: [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-nitro-benzyl]-methyl-amine Formula: C13H17N5O3 MolecularWeight: 291.30578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)COC2=C(C=C(C=C2)CNC)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C)COC2=C(C=C(C=C2)CNC)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O3/c1-9-15-16-13(17(9)3)8-21-12-5-4-10(7-14-2)6-11(12)18(19)20/h4-6,14H,7-8H2,1-3H3