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

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O5S/c1-16(2)11-6-5-10(8-12(11)17(20)21)15(19)22-9-13(18)14-4-3-7-23-14/h3-8H,9H2,1-2H3