N-(2-methylpropyl)-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]cyclopropanamine

Systemtic Name: N-(2-methylpropyl)-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]cyclopropanamine Openeye Name: N-isobutyl-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]cyclopropanamine CAS Name: N-(2-methylpropyl)-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]cyclopropanamine IUPAC Name: N-(2-methylpropyl)-N-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]cyclopropanamine Traditional Name: cyclopropyl-isobutyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CN1C=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3CC3

Isomeric SMILES

CC(C)CN(CN1C=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C16H21N5O2/c1-12(2)9-19(14-7-8-14)11-20-10-17-16(18-20)13-3-5-15(6-4-13)21(22)23/h3-6,10,12,14H,7-9,11H2,1-2H3