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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C13H14ClN3O6 MolecularWeight: 343.71976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O6/c1-2-5-15-13(20)16-11(18)7-23-12(19)9-6-8(17(21)22)3-4-10(9)14/h3-4,6H,2,5,7H2,1H3,(H2,15,16,18,20)