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

Systemtic Name: 2-methoxy-5-[[(5-nitrothiophen-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(5-nitrothiophene-2-carbonyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(5-nitro-2-thiophenyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(5-nitrothiophene-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(5-nitrothiophene-2-carbonyl)amino]methyl]benzoic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H12N2O6S/c1-22-10-3-2-8(6-9(10)14(18)19)7-15-13(17)11-4-5-12(23-11)16(20)21/h2-6H,7H2,1H3,(H,15,17)(H,18,19)