4-[[(5-nitrothiophen-2-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(5-nitrothiophen-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(5-nitrothiophene-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(5-nitro-2-thiophenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(5-nitrothiophene-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-nitrothiophene-2-carbonyl)amino]methyl]benzoic acid Formula: C13H10N2O5S MolecularWeight: 306.2939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H10N2O5S/c16-12(10-5-6-11(21-10)15(19)20)14-7-8-1-3-9(4-2-8)13(17)18/h1-6H,7H2,(H,14,16)(H,17,18)