methyl 3-[1-(3-chlorophenyl)propylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[1-(3-chlorophenyl)propylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[1-(3-chlorophenyl)propylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-(3-chlorophenyl)propylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[1-(3-chlorophenyl)propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-(3-chlorophenyl)propylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)Cl)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC(C1=CC(=CC=C1)Cl)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H17ClN2O5/c1-3-16(11-5-4-6-14(19)8-11)20-17(22)12-7-13(18(23)26-2)10-15(9-12)21(24)25/h4-10,16H,3H2,1-2H3,(H,20,22)