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

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-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] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C19H28N2O7 MolecularWeight: 396.43482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O7/c1-18(2,3)11-19(4,5)20-16(22)10-28-17(23)12-8-14(26-6)15(27-7)9-13(12)21(24)25/h8-9H,10-11H2,1-7H3,(H,20,22)