methyl 1-[2-[(5-nitro-1-benzothiophen-2-yl)carbonyloxy]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(5-nitro-1-benzothiophen-2-yl)carbonyloxy]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(5-nitrobenzothiophene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-nitro-1-benzothiophen-2-yl)-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-nitro-1-benzothiophene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(5-nitrobenzothiophene-2-carbonyl)oxyacetyl]isonipecotic acid methyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c1-26-17(22)11-4-6-19(7-5-11)16(21)10-27-18(23)15-9-12-8-13(20(24)25)2-3-14(12)28-15/h2-3,8-9,11H,4-7,10H2,1H3