[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H12ClN3O6 MolecularWeight: 341.70388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O6/c1-2-5-15-13(20)16-11(18)7-23-12(19)8-3-4-9(14)10(6-8)17(21)22/h2-4,6H,1,5,7H2,(H2,15,16,18,20)