N1-(2-azanylcyclohexyl)-N3-[4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-4,6-dinitro-benzene-1,3-diamine

Systemtic Name: N1-(2-azanylcyclohexyl)-N3-[4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-4,6-dinitro-benzene-1,3-diamine Openeye Name: N1-(2-aminocyclohexyl)-N3-[4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-4,6-dinitro-benzene-1,3-diamine CAS Name: N1-(2-aminocyclohexyl)-N3-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-4,6-dinitrobenzene-1,3-diamine IUPAC Name: 1-N-(2-aminocyclohexyl)-3-N-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-4,6-dinitrobenzene-1,3-diamine Traditional Name: (2-aminocyclohexyl)-[5-[[4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]amino]-2,4-dinitro-phenyl]amine Formula: C27H44N6O4 MolecularWeight: 516.67606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1N)CC2CCC(C(C2)C)NC3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])NC4CCCCC4N

Isomeric SMILES

CC1CC(CCC1N)CC2CCC(C(C2)C)NC3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])NC4CCCCC4N

InChI

InChI=1S/C27H44N6O4/c1-16-11-18(7-9-20(16)28)13-19-8-10-22(17(2)12-19)30-24-14-25(31-23-6-4-3-5-21(23)29)27(33(36)37)15-26(24)32(34)35/h14-23,30-31H,3-13,28-29H2,1-2H3