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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C14H17BrN2O5 MolecularWeight: 373.19918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O5/c1-3-4-9(2)16-13(18)8-22-14(19)10-5-6-11(15)12(7-10)17(20)21/h5-7,9H,3-4,8H2,1-2H3,(H,16,18)