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

Systemtic Name: N2-(2-bromanyl-4-propan-2-yl-phenyl)-N4-butyl-N4-ethyl-6-methyl-3-nitro-pyridine-2,4-diamine Openeye Name: N2-(2-bromo-4-isopropyl-phenyl)-N4-butyl-N4-ethyl-6-methyl-3-nitro-pyridine-2,4-diamine CAS Name: N2-(2-bromo-4-propan-2-ylphenyl)-N4-butyl-N4-ethyl-6-methyl-3-nitropyridine-2,4-diamine IUPAC Name: 2-N-(2-bromo-4-propan-2-ylphenyl)-4-N-butyl-4-N-ethyl-6-methyl-3-nitropyridine-2,4-diamine Traditional Name: [2-(2-bromo-4-isopropyl-anilino)-6-methyl-3-nitro-4-pyridyl]-butyl-ethyl-amine Formula: C21H29BrN4O2 MolecularWeight: 449.38456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN4O2/c1-6-8-11-25(7-2)19-12-15(5)23-21(20(19)26(27)28)24-18-10-9-16(14(3)4)13-17(18)22/h9-10,12-14H,6-8,11H2,1-5H3,(H,23,24)