[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-4-14(2,3)15-12(17)9-21-13(18)10-6-5-7-11(8-10)16(19)20/h5-8H,4,9H2,1-3H3,(H,15,17)