ethyl 3-nitro-5-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[3-(2-oxoazepan-1-yl)propylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-(2-oxo-1-azepanyl)propylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[3-(2-oxoazepan-1-yl)propylcarbamoyl]benzoate Traditional Name: 3-[3-(2-ketoazepan-1-yl)propylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H25N3O6 MolecularWeight: 391.4183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O6/c1-2-28-19(25)15-11-14(12-16(13-15)22(26)27)18(24)20-8-6-10-21-9-5-3-4-7-17(21)23/h11-13H,2-10H2,1H3,(H,20,24)