[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H13BrN2O5 MolecularWeight: 357.15672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN2O5/c1-3-6-15-12(17)8(2)21-13(18)9-4-5-10(14)11(7-9)16(19)20/h3-5,7-8H,1,6H2,2H3,(H,15,17)