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

Systemtic Name: [3-[7-chloranyl-6-nitro-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)-1H-quinolin-3-yl]-5-methyl-phenyl]methyl ethanoate Openeye Name: [3-[7-chloro-6-nitro-2-oxo-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-3-yl]-5-methyl-phenyl]methyl acetate CAS Name: acetic acid [3-[7-chloro-6-nitro-2-oxo-4-[2-(2-piperidinyl)ethoxy]-1H-quinolin-3-yl]-5-methylphenyl]methyl ester IUPAC Name: [3-[7-chloro-6-nitro-2-oxo-4-(2-piperidin-2-ylethoxy)-1H-quinolin-3-yl]-5-methylphenyl]methyl acetate Traditional Name: acetic acid [3-[7-chloro-2-keto-6-nitro-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-3-yl]-5-methyl-benzyl] ester Formula: C26H28ClN3O6 MolecularWeight: 513.97002

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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)COC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN3O6/c1-15-9-17(14-36-16(2)31)11-18(10-15)24-25(35-8-6-19-5-3-4-7-28-19)20-12-23(30(33)34)21(27)13-22(20)29-26(24)32/h9-13,19,28H,3-8,14H2,1-2H3,(H,29,32)