5-nitro-2-(2-thiophen-2-ylethylamino)benzoate

Systemtic Name: 5-nitro-2-(2-thiophen-2-ylethylamino)benzoate Openeye Name: 5-nitro-2-[2-(2-thienyl)ethylamino]benzoate CAS Name: 5-nitro-2-(2-thiophen-2-ylethylamino)benzoate IUPAC Name: 5-nitro-2-(2-thiophen-2-ylethylamino)benzoate Traditional Name: 5-nitro-2-[2-(2-thienyl)ethylamino]benzoate Formula: C13H11N2O4S- MolecularWeight: 291.30244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c16-13(17)11-8-9(15(18)19)3-4-12(11)14-6-5-10-2-1-7-20-10/h1-4,7-8,14H,5-6H2,(H,16,17)/p-1