N2-(2-bromanyl-4-propan-2-yl-phenyl)-N4-heptan-4-yl-6-methyl-3-nitro-pyridine-2,4-diamine

Systemtic Name: N2-(2-bromanyl-4-propan-2-yl-phenyl)-N4-heptan-4-yl-6-methyl-3-nitro-pyridine-2,4-diamine Openeye Name: N2-(2-bromo-4-isopropyl-phenyl)-6-methyl-3-nitro-N4-(1-propylbutyl)pyridine-2,4-diamine CAS Name: N2-(2-bromo-4-propan-2-ylphenyl)-N4-heptan-4-yl-6-methyl-3-nitropyridine-2,4-diamine IUPAC Name: 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-heptan-4-yl-6-methyl-3-nitropyridine-2,4-diamine Traditional Name: [2-(2-bromo-4-isopropyl-anilino)-6-methyl-3-nitro-4-pyridyl]-(1-propylbutyl)amine Formula: C22H31BrN4O2 MolecularWeight: 463.41114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=CC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)Br)C

Isomeric SMILES

CCCC(CCC)NC1=CC(=NC(=C1[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)Br)C

InChI

InChI=1S/C22H31BrN4O2/c1-6-8-17(9-7-2)25-20-12-15(5)24-22(21(20)27(28)29)26-19-11-10-16(14(3)4)13-18(19)23/h10-14,17H,6-9H2,1-5H3,(H2,24,25,26)