[2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-(5-ethyl-2-thienyl)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(5-ethyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(5-ethyl-2-thienyl)-2-keto-ethyl] ester Formula: C15H13NO5S MolecularWeight: 319.33242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5S/c1-2-12-7-8-14(22-12)13(17)9-21-15(18)10-3-5-11(6-4-10)16(19)20/h3-8H,2,9H2,1H3