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

Systemtic Name: 3-nitro-4-(thiophen-2-ylmethylamino)benzoic acid Openeye Name: 3-nitro-4-(2-thienylmethylamino)benzoic acid CAS Name: 3-nitro-4-(thiophen-2-ylmethylamino)benzoic acid IUPAC Name: 3-nitro-4-(thiophen-2-ylmethylamino)benzoic acid Traditional Name: 3-nitro-4-(2-thenylamino)benzoic acid Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O4S/c15-12(16)8-3-4-10(11(6-8)14(17)18)13-7-9-2-1-5-19-9/h1-6,13H,7H2,(H,15,16)