[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxo-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-keto-2-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethyl] ester Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O7S/c1-12-19(23(26)27)13(2)21(20-12)10-18(25)30-11-17(24)15-6-7-16-14(9-15)5-4-8-22(16)31(3,28)29/h6-7,9H,4-5,8,10-11H2,1-3H3