[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-17(2,3)11-18(4,5)20-15(22)10-26-16(23)13-9-12(21(24)25)7-8-14(13)19-6/h7-9,19H,10-11H2,1-6H3,(H,20,22)