3-nitro-4-(2-thiophen-2-ylethylamino)benzoic acid

Systemtic Name: 3-nitro-4-(2-thiophen-2-ylethylamino)benzoic acid Openeye Name: 3-nitro-4-[2-(2-thienyl)ethylamino]benzoic acid CAS Name: 3-nitro-4-(2-thiophen-2-ylethylamino)benzoic acid IUPAC Name: 3-nitro-4-(2-thiophen-2-ylethylamino)benzoic acid Traditional Name: 3-nitro-4-[2-(2-thienyl)ethylamino]benzoic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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