(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(methylamino)-5-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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