4-(5,5-dipropyl-1,3-diazinan-2-yl)-2-nitro-aniline hydrochloride

Systemtic Name: 4-(5,5-dipropyl-1,3-diazinan-2-yl)-2-nitro-aniline hydrochloride Openeye Name: 4-(5,5-dipropylhexahydropyrimidin-2-yl)-2-nitro-aniline hydrochloride CAS Name: 4-(5,5-dipropyl-1,3-diazinan-2-yl)-2-nitroaniline hydrochloride IUPAC Name: 4-(5,5-dipropyl-1,3-diazinan-2-yl)-2-nitroaniline hydrochloride Traditional Name: [4-(5,5-dipropylhexahydropyrimidin-2-yl)-2-nitro-phenyl]amine hydrochloride Formula: C16H27ClN4O2 MolecularWeight: 342.86418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CNC(NC1)C2=CC(=C(C=C2)N)[N+](=O)[O-])CCC.Cl

Isomeric SMILES

CCCC1(CNC(NC1)C2=CC(=C(C=C2)N)[N+](=O)[O-])CCC.Cl

InChI

InChI=1S/C16H26N4O2.ClH/c1-3-7-16(8-4-2)10-18-15(19-11-16)12-5-6-13(17)14(9-12)20(21)22;/h5-6,9,15,18-19H,3-4,7-8,10-11,17H2,1-2H3;1H