[2-(bromomethyl)-1-(tert-butylamino)-3-ethoxy-1,3-bis(oxidanylidene)propan-2-yl] 4-nitrobenzoate

Systemtic Name: [2-(bromomethyl)-1-(tert-butylamino)-3-ethoxy-1,3-bis(oxidanylidene)propan-2-yl] 4-nitrobenzoate Openeye Name: [1-(bromomethyl)-1-(tert-butylcarbamoyl)-2-ethoxy-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(bromomethyl)-1-(tert-butylamino)-3-ethoxy-1,3-dioxopropan-2-yl] ester IUPAC Name: [2-(bromomethyl)-1-(tert-butylamino)-3-ethoxy-1,3-dioxopropan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(bromomethyl)-1-(tert-butylcarbamoyl)-2-ethoxy-2-keto-ethyl] ester Formula: C17H21BrN2O7 MolecularWeight: 445.26184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O7/c1-5-26-15(23)17(10-18,14(22)19-16(2,3)4)27-13(21)11-6-8-12(9-7-11)20(24)25/h6-9H,5,10H2,1-4H3,(H,19,22)