4-(2-methylpropyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-(2-methylpropyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylic acid Openeye Name: 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4-isobutyl-thiophene-3-carboxylic acid CAS Name: 2-[[(2-hydroxy-5-nitrophenyl)-oxomethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-hydroxy-5-nitrobenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylic acid Traditional Name: 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4-isobutyl-3-thenoic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CSC(=C1C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)CC1=CSC(=C1C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H16N2O6S/c1-8(2)5-9-7-25-15(13(9)16(21)22)17-14(20)11-6-10(18(23)24)3-4-12(11)19/h3-4,6-8,19H,5H2,1-2H3,(H,17,20)(H,21,22)