4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid 4-phthalimidobutyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O)N=N1

InChI

InChI=1S/C21H20N4O4/c1-2-25-18-10-9-14(13-17(18)22-23-25)21(28)29-12-6-5-11-24-19(26)15-7-3-4-8-16(15)20(24)27/h3-4,7-10,13H,2,5-6,11-12H2,1H3