2,4-dimethyl-5-[[5-[(4-nitrophenyl)methylsulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2,4-dimethyl-5-[[5-[(4-nitrophenyl)methylsulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 2,4-dimethyl-5-[[5-[(4-nitrophenyl)methylsulfonyl]-2-oxo-indolin-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid CAS Name: 2,4-dimethyl-5-[[5-[(4-nitrophenyl)methylsulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 2,4-dimethyl-5-[[5-[(4-nitrophenyl)methylsulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[[2-keto-5-(4-nitrobenzyl)sulfonyl-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C23H20N3O7S+ MolecularWeight: 482.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O7S/c1-13-19(24-14(2)22(13)23(28)29)11-25-20-8-7-18(9-16(20)10-21(25)27)34(32,33)12-15-3-5-17(6-4-15)26(30)31/h3-9,11H,10,12H2,1-2H3,(H,28,29)/p+1