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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C13H15ClN2O5 MolecularWeight: 314.7216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O5/c1-2-3-6-15-12(17)8-21-13(18)10-7-9(14)4-5-11(10)16(19)20/h4-5,7H,2-3,6,8H2,1H3,(H,15,17)