(6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-yl) piperazine-1-carboxylate

Systemtic Name: (6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-yl) piperazine-1-carboxylate Openeye Name: (6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl) piperazine-1-carboxylate CAS Name: 1-piperazinecarboxylic acid (6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolinyl) ester IUPAC Name: (6,7-dimethoxy-1-methyl-4-nitroisoquinolin-3-yl) piperazine-1-carboxylate Traditional Name: piperazine-1-carboxylic acid (6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl) ester Formula: C17H20N4O6 MolecularWeight: 376.3639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C2=CC(=C(C=C12)OC)OC)[N+](=O)[O-])OC(=O)N3CCNCC3

Isomeric SMILES

CC1=NC(=C(C2=CC(=C(C=C12)OC)OC)[N+](=O)[O-])OC(=O)N3CCNCC3

InChI

InChI=1S/C17H20N4O6/c1-10-11-8-13(25-2)14(26-3)9-12(11)15(21(23)24)16(19-10)27-17(22)20-6-4-18-5-7-20/h8-9,18H,4-7H2,1-3H3