[2-oxidanylidene-2-(propylamino)ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-2-(propylamino)ethyl] ester Formula: C12H13ClN2O5 MolecularWeight: 300.69502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O5/c1-2-5-14-11(16)7-20-12(17)9-4-3-8(13)6-10(9)15(18)19/h3-4,6H,2,5,7H2,1H3,(H,14,16)