4-[(4-ethoxycarbonyl-5-methyl-2-oxidanylidene-1,3-dihydropyrrol-3-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 4-[(4-ethoxycarbonyl-5-methyl-2-oxidanylidene-1,3-dihydropyrrol-3-yl)diazenyl]benzenesulfonic acid Openeye Name: 4-[(4-ethoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)azo]benzenesulfonic acid CAS Name: 4-[(4-ethoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)azo]benzenesulfonic acid IUPAC Name: 4-[(4-ethoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-[(4-carbethoxy-2-keto-5-methyl-2-pyrrolin-3-yl)azo]besylic acid Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C14H15N3O6S/c1-3-23-14(19)11-8(2)15-13(18)12(11)17-16-9-4-6-10(7-5-9)24(20,21)22/h4-7,12H,3H2,1-2H3,(H,15,18)(H,20,21,22)