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

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H21BrN2O5/c1-11(16(21)19-13-6-4-2-3-5-7-13)25-17(22)12-8-9-14(18)15(10-12)20(23)24/h8-11,13H,2-7H2,1H3,(H,19,21)/t11-/m1/s1