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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C12H11ClN2O5 MolecularWeight: 298.67914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O5/c1-2-5-14-11(16)7-20-12(17)8-3-4-9(13)10(6-8)15(18)19/h2-4,6H,1,5,7H2,(H,14,16)