2-chloranyl-7-methoxy-3-[2-methylsulfonyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-7-methoxy-3-[2-methylsulfonyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-7-methoxy-3-[2-methylsulfonyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-7-methoxy-3-[2-methylsulfonyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-7-methoxy-3-[2-methylsulfonyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-3-[2-mesyl-5-(3-nitrophenyl)-2-pyrazolin-3-yl]-7-methoxy-quinoline Formula: C20H17ClN4O5S MolecularWeight: 460.89078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H17ClN4O5S/c1-30-15-7-6-13-9-16(20(21)22-17(13)10-15)19-11-18(23-24(19)31(2,28)29)12-4-3-5-14(8-12)25(26)27/h3-10,19H,11H2,1-2H3