2-[3-[7-chloranyl-6-nitro-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)-1H-quinolin-3-yl]-5-methyl-phenyl]ethanenitrile

Systemtic Name: 2-[3-[7-chloranyl-6-nitro-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)-1H-quinolin-3-yl]-5-methyl-phenyl]ethanenitrile Openeye Name: 2-[3-[7-chloro-6-nitro-2-oxo-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-3-yl]-5-methyl-phenyl]acetonitrile CAS Name: 2-[3-[7-chloro-6-nitro-2-oxo-4-[2-(2-piperidinyl)ethoxy]-1H-quinolin-3-yl]-5-methylphenyl]acetonitrile IUPAC Name: 2-[3-[7-chloro-6-nitro-2-oxo-4-(2-piperidin-2-ylethoxy)-1H-quinolin-3-yl]-5-methylphenyl]acetonitrile Traditional Name: 2-[3-[7-chloro-2-keto-6-nitro-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-3-yl]-5-methyl-phenyl]acetonitrile Formula: C25H25ClN4O4 MolecularWeight: 480.9434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)[N+](=O)[O-])OCCC4CCCCN4)CC#N

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)[N+](=O)[O-])OCCC4CCCCN4)CC#N

InChI

InChI=1S/C25H25ClN4O4/c1-15-10-16(5-7-27)12-17(11-15)23-24(34-9-6-18-4-2-3-8-28-18)19-13-22(30(32)33)20(26)14-21(19)29-25(23)31/h10-14,18,28H,2-6,8-9H2,1H3,(H,29,31)