methyl 1-[4-chloranyl-1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[4-chloranyl-1,3-bis(oxidanylidene)isoindol-2-yl]cyclohexane-1-carboxylate Openeye Name: methyl 1-(4-chloro-1,3-dioxo-isoindolin-2-yl)cyclohexanecarboxylate CAS Name: 1-(4-chloro-1,3-dioxo-2-isoindolyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chloro-1,3-dioxoisoindol-2-yl)cyclohexane-1-carboxylate Traditional Name: 1-(4-chloro-1,3-diketo-isoindolin-2-yl)cyclohexanecarboxylic acid methyl ester Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1(CCCCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)Cl

InChI

InChI=1S/C16H16ClNO4/c1-22-15(21)16(8-3-2-4-9-16)18-13(19)10-6-5-7-11(17)12(10)14(18)20/h5-7H,2-4,8-9H2,1H3