O4-tert-butyl O1-(6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-yl) piperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-yl) piperazine-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-(6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl) piperazine-1,4-dicarboxylate CAS Name: piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolinyl) ester IUPAC Name: 4-O-tert-butyl 1-O-(6,7-dimethoxy-1-methyl-4-nitroisoquinolin-3-yl) piperazine-1,4-dicarboxylate Traditional Name: piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl) ester Formula: C22H28N4O8 MolecularWeight: 476.47972

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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)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=C(C2=CC(=C(C=C12)OC)OC)[N+](=O)[O-])OC(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N4O8/c1-13-14-11-16(31-5)17(32-6)12-15(14)18(26(29)30)19(23-13)33-20(27)24-7-9-25(10-8-24)21(28)34-22(2,3)4/h11-12H,7-10H2,1-6H3