4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-8-methylsulfonyl-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-8-methylsulfonyl-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-8-methylsulfonyl-6-nitro-quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-8-methylsulfonyl-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-8-methylsulfonyl-6-nitroquinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-8-mesyl-6-nitro-quinoline-3-carbonitrile Formula: C17H10ClFN4O4S MolecularWeight: 420.802103

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(C=N2)C#N)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(C=N2)C#N)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H10ClFN4O4S/c1-28(26,27)15-6-11(23(24)25)5-12-16(9(7-20)8-21-17(12)15)22-10-2-3-14(19)13(18)4-10/h2-6,8H,1H3,(H,21,22)