methyl 3-(3-chloranylpropylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(3-chloranylpropylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(3-chloropropylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(3-chloropropylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(3-chloropropylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(3-chloropropylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C12H13ClN2O5 MolecularWeight: 300.69502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O5/c1-20-12(17)9-5-8(6-10(7-9)15(18)19)11(16)14-4-2-3-13/h5-7H,2-4H2,1H3,(H,14,16)