dimethyl 2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)propanedioate

Systemtic Name: dimethyl 2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)propanedioate Openeye Name: dimethyl 2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]propanedioate CAS Name: 2-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)propanedioate Traditional Name: 2-(2-nitro-4-piperidinosulfonyl-phenyl)malonic acid dimethyl ester Formula: C16H20N2O8S MolecularWeight: 400.4036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H20N2O8S/c1-25-15(19)14(16(20)26-2)12-7-6-11(10-13(12)18(21)22)27(23,24)17-8-4-3-5-9-17/h6-7,10,14H,3-5,8-9H2,1-2H3