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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C12H13ClN2O5 MolecularWeight: 300.69502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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