[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C14H12N2O5S MolecularWeight: 320.32048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5S/c17-13(15-8-10-4-3-7-22-10)9-21-14(18)11-5-1-2-6-12(11)16(19)20/h1-7H,8-9H2,(H,15,17)