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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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