N-(2-methylpropyl)-4-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]-2-nitro-aniline

Systemtic Name: N-(2-methylpropyl)-4-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]-2-nitro-aniline Openeye Name: N-isobutyl-4-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]-2-nitro-aniline CAS Name: N-(2-methylpropyl)-4-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-2-nitroaniline IUPAC Name: N-(2-methylpropyl)-4-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]-2-nitroaniline Traditional Name: isobutyl-[4-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]-2-nitro-phenyl]amine Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O2/c1-11(2)10-20-15-5-4-13(9-16(15)24(25)26)17-21-18(23-22-17)14-6-7-19-12(3)8-14/h4-9,11,20H,10H2,1-3H3,(H,21,22,23)