[2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-16(2,3)17-13(20)9-18(4)14(21)10-25-15(22)11-7-5-6-8-12(11)19(23)24/h5-8H,9-10H2,1-4H3,(H,17,20)