2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid

Systemtic Name: 2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Openeye Name: 1-(2-nitrophenyl)sulfonyl-2-(p-tolyl)-2,5-dihydropyrrole-3-carboxylic acid CAS Name: 2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid IUPAC Name: 2-(4-methylphenyl)-1-(2-nitrophenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylic acid Traditional Name: 1-(2-nitrophenyl)sulfonyl-2-(p-tolyl)-3-pyrroline-3-carboxylic acid Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=CCN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=CCN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H16N2O6S/c1-12-6-8-13(9-7-12)17-14(18(21)22)10-11-19(17)27(25,26)16-5-3-2-4-15(16)20(23)24/h2-10,17H,11H2,1H3,(H,21,22)