[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O5/c1-4-19(2,3)20-17(23)13-27-18(24)14-8-9-15(16(12-14)22(25)26)21-10-6-5-7-11-21/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,20,23)