5-ethyl-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 5-ethyl-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 5-ethyl-2-[(2-hydroxy-5-nitro-benzoyl)amino]thiophene-3-carboxylic acid CAS Name: 5-ethyl-2-[[(2-hydroxy-5-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-ethyl-2-[(2-hydroxy-5-nitrobenzoyl)amino]thiophene-3-carboxylic acid Traditional Name: 5-ethyl-2-[(2-hydroxy-5-nitro-benzoyl)amino]-3-thenoic acid Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C14H12N2O6S/c1-2-8-6-10(14(19)20)13(23-8)15-12(18)9-5-7(16(21)22)3-4-11(9)17/h3-6,17H,2H2,1H3,(H,15,18)(H,19,20)