[2-oxidanylidene-2-(pentylamino)ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C14H17ClN2O5 MolecularWeight: 328.74818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O5/c1-2-3-4-7-16-13(18)9-22-14(19)11-8-10(17(20)21)5-6-12(11)15/h5-6,8H,2-4,7,9H2,1H3,(H,16,18)