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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C17H19N3O6S MolecularWeight: 393.41426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CS2

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=CS2

InChI

InChI=1S/C17H19N3O6S/c1-25-7-6-18-15-5-4-12(20(23)24)9-14(15)17(22)26-11-16(21)19-10-13-3-2-8-27-13/h2-5,8-9,18H,6-7,10-11H2,1H3,(H,19,21)