cyclohexyl-[(1R)-7-nitro-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: cyclohexyl-[(1R)-7-nitro-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: cyclohexyl-[(1R)-7-nitro-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: cyclohexyl-[(1R)-7-nitro-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: cyclohexyl-[(1R)-7-nitro-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Traditional Name: cyclohexyl-[(1R)-7-nitro-1-(nitromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCC3=C(C2C[N+](=O)[O-])C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCC3=C([C@@H]2C[N+](=O)[O-])C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c21-17(13-4-2-1-3-5-13)18-9-8-12-6-7-14(20(24)25)10-15(12)16(18)11-19(22)23/h6-7,10,13,16H,1-5,8-9,11H2/t16-/m0/s1