3-nitro-4-(1-thiophen-2-ylethylamino)benzoic acid

Systemtic Name: 3-nitro-4-(1-thiophen-2-ylethylamino)benzoic acid Openeye Name: 3-nitro-4-[1-(2-thienyl)ethylamino]benzoic acid CAS Name: 3-nitro-4-(1-thiophen-2-ylethylamino)benzoic acid IUPAC Name: 3-nitro-4-(1-thiophen-2-ylethylamino)benzoic acid Traditional Name: 3-nitro-4-[1-(2-thienyl)ethylamino]benzoic acid Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CS1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O4S/c1-8(12-3-2-6-20-12)14-10-5-4-9(13(16)17)7-11(10)15(18)19/h2-8,14H,1H3,(H,16,17)