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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N(C1=C(C=C(C=C1)C(C)C)Br)C2=C(C(=CC(=N2)C)N)[N+](=O)[O-]

Isomeric SMILES

CCCC(CCC)N(C1=C(C=C(C=C1)C(C)C)Br)C2=C(C(=CC(=N2)C)N)[N+](=O)[O-]

InChI

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