4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 6-chloranylpyridine-3-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 6-chloranylpyridine-3-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid 4-phthalimidobutyl ester Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O4/c19-15-8-7-12(11-20-15)18(24)25-10-4-3-9-21-16(22)13-5-1-2-6-14(13)17(21)23/h1-2,5-8,11H,3-4,9-10H2