2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-11-17(21(23)24)12(2)19(18-11)10-16(22)14-6-7-15-13(9-14)5-4-8-20(15)27(3,25)26/h6-7,9H,4-5,8,10H2,1-3H3