5-nitro-3-[(4-oxidanyl-4-oxidanylidene-butyl)amino]thiophene-2-carboxylic acid

Systemtic Name: 5-nitro-3-[(4-oxidanyl-4-oxidanylidene-butyl)amino]thiophene-2-carboxylic acid Openeye Name: 3-[(4-hydroxy-4-oxo-butyl)amino]-5-nitro-thiophene-2-carboxylic acid CAS Name: 3-[(4-hydroxy-4-oxobutyl)amino]-5-nitro-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-hydroxy-4-oxobutyl)amino]-5-nitrothiophene-2-carboxylic acid Traditional Name: 3-[(4-hydroxy-4-keto-butyl)amino]-5-nitro-2-thenoic acid Formula: C9H10N2O6S MolecularWeight: 274.2505

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1NCCCC(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(SC(=C1NCCCC(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O6S/c12-7(13)2-1-3-10-5-4-6(11(16)17)18-8(5)9(14)15/h4,10H,1-3H2,(H,12,13)(H,14,15)