(3-nitrophenyl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (3-nitrophenyl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (3-nitrophenyl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (3-nitrobenzyl) ester Formula: C15H13NO5S MolecularWeight: 319.33242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C15H13NO5S/c17-13(14-5-2-8-22-14)6-7-15(18)21-10-11-3-1-4-12(9-11)16(19)20/h1-5,8-9H,6-7,10H2