[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6/c1-14(2,3)16-13(20)15-11(18)8-23-12(19)9-6-4-5-7-10(9)17(21)22/h4-7H,8H2,1-3H3,(H2,15,16,18,20)