1H-isoindol-1-yl 2-(7-chloranyl-1,8-naphthyridin-2-yl)-3,4-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: 1H-isoindol-1-yl 2-(7-chloranyl-1,8-naphthyridin-2-yl)-3,4-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: 1H-isoindol-1-yl 2-(7-chloro-1,8-naphthyridin-2-yl)-3,4-dioxo-cyclohexanecarboxylate CAS Name: 2-(7-chloro-1,8-naphthyridin-2-yl)-3,4-dioxo-1-cyclohexanecarboxylic acid 1H-isoindol-1-yl ester IUPAC Name: 1H-isoindol-1-yl 2-(7-chloro-1,8-naphthyridin-2-yl)-3,4-dioxocyclohexane-1-carboxylate Traditional Name: 2-(7-chloro-1,8-naphthyridin-2-yl)-3,4-diketo-cyclohexanecarboxylic acid 1H-isoindol-1-yl ester Formula: C23H16ClN3O4 MolecularWeight: 433.84384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=O)C(C1C(=O)OC2C3=CC=CC=C3C=N2)C4=NC5=C(C=C4)C=CC(=N5)Cl

Isomeric SMILES

C1CC(=O)C(=O)C(C1C(=O)OC2C3=CC=CC=C3C=N2)C4=NC5=C(C=C4)C=CC(=N5)Cl

InChI

InChI=1S/C23H16ClN3O4/c24-18-10-6-12-5-8-16(26-21(12)27-18)19-15(7-9-17(28)20(19)29)23(30)31-22-14-4-2-1-3-13(14)11-25-22/h1-6,8,10-11,15,19,22H,7,9H2