[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O5S/c17-12(15-8-10-4-2-1-3-5-10)9-21-14(18)11-6-7-13(22-11)16(19)20/h6-7,10H,1-5,8-9H2,(H,15,17)