2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione

Systemtic Name: 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione Openeye Name: 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)quinoline-3-carboxylic acid; 2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione CAS Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-quinolinecarboxylic acid; 2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid; 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione Traditional Name: 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)quinoline-3-carboxylic acid; 2-(4-mesyl-2-nitro-benzoyl)cyclohexane-1,3-quinone Formula: C31H30N4O10S MolecularWeight: 650.6557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3.C14H13NO7S/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13;1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h4-9H,1-3H3,(H,21,22)(H,19,20,23);5-7,13H,2-4H2,1H3