(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C14H12N2O5S MolecularWeight: 320.32048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5S/c1-15-10-5-4-9(7-11(10)16(19)20)14(18)21-8-12(17)13-3-2-6-22-13/h2-7,15H,8H2,1H3