5-methyl-N-[(4-nitrophenyl)methyl]-4-propyl-1,2,4-triazol-3-amine

Systemtic Name: 5-methyl-N-[(4-nitrophenyl)methyl]-4-propyl-1,2,4-triazol-3-amine Openeye Name: 5-methyl-N-[(4-nitrophenyl)methyl]-4-propyl-1,2,4-triazol-3-amine CAS Name: 5-methyl-N-[(4-nitrophenyl)methyl]-4-propyl-1,2,4-triazol-3-amine IUPAC Name: 5-methyl-N-[(4-nitrophenyl)methyl]-4-propyl-1,2,4-triazol-3-amine Traditional Name: (5-methyl-4-propyl-1,2,4-triazol-3-yl)-(4-nitrobenzyl)amine Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1NCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=NN=C1NCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

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