[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-6-7-12(2)19-16(21)11-25-17(22)13-8-9-14(18(3,4)5)15(10-13)20(23)24/h8-10,12H,6-7,11H2,1-5H3,(H,19,21)