dimethyl 4-butyl-5-[4-nitro-1,2,3,4-tetrakis(oxidanyl)butyl]pyridazine-3,6-dicarboxylate

Systemtic Name: dimethyl 4-butyl-5-[4-nitro-1,2,3,4-tetrakis(oxidanyl)butyl]pyridazine-3,6-dicarboxylate Openeye Name: dimethyl 4-butyl-5-(1,2,3,4-tetrahydroxy-4-nitro-butyl)pyridazine-3,6-dicarboxylate CAS Name: 4-butyl-5-(1,2,3,4-tetrahydroxy-4-nitrobutyl)pyridazine-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-butyl-5-(1,2,3,4-tetrahydroxy-4-nitrobutyl)pyridazine-3,6-dicarboxylate Traditional Name: 4-butyl-5-(1,2,3,4-tetrahydroxy-4-nitro-butyl)pyridazine-3,6-dicarboxylic acid dimethyl ester Formula: C16H23N3O10 MolecularWeight: 417.36792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NN=C1C(=O)OC)C(=O)OC)C(C(C(C([N+](=O)[O-])O)O)O)O

Isomeric SMILES

CCCCC1=C(C(=NN=C1C(=O)OC)C(=O)OC)C(C(C(C([N+](=O)[O-])O)O)O)O

InChI

InChI=1S/C16H23N3O10/c1-4-5-6-7-8(11(20)12(21)13(22)14(23)19(26)27)10(16(25)29-3)18-17-9(7)15(24)28-2/h11-14,20-23H,4-6H2,1-3H3