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

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19BrN2O5 MolecularWeight: 399.23646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H19BrN2O5/c1-10(15(20)18-12-5-3-2-4-6-12)24-16(21)11-7-8-13(17)14(9-11)19(22)23/h7-10,12H,2-6H2,1H3,(H,18,20)