[2-oxidanylidene-2-(pentylamino)ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C17H25N3O6 MolecularWeight: 367.3969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6/c1-3-4-5-8-19-16(21)12-26-17(22)14-11-13(20(23)24)6-7-15(14)18-9-10-25-2/h6-7,11,18H,3-5,8-10,12H2,1-2H3,(H,19,21)