2-[(4-azanylcyclohexyl)amino]-1-(5-nitro-1,3-dihydroisoindol-2-yl)ethanone

Systemtic Name: 2-[(4-azanylcyclohexyl)amino]-1-(5-nitro-1,3-dihydroisoindol-2-yl)ethanone Openeye Name: 2-[(4-aminocyclohexyl)amino]-1-(5-nitroisoindolin-2-yl)ethanone CAS Name: 2-[(4-aminocyclohexyl)amino]-1-(5-nitro-1,3-dihydroisoindol-2-yl)ethanone IUPAC Name: 2-[(4-aminocyclohexyl)amino]-1-(5-nitro-1,3-dihydroisoindol-2-yl)ethanone Traditional Name: 2-[(4-aminocyclohexyl)amino]-1-(5-nitroisoindolin-2-yl)ethanone Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NCC(=O)N2CC3=C(C2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1N)NCC(=O)N2CC3=C(C2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O3/c17-13-2-4-14(5-3-13)18-8-16(21)19-9-11-1-6-15(20(22)23)7-12(11)10-19/h1,6-7,13-14,18H,2-5,8-10,17H2