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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-methylpyrazole-4-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid 4-phthalimidobutyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H17N3O4/c1-19-11-12(10-18-19)17(23)24-9-5-4-8-20-15(21)13-6-2-3-7-14(13)16(20)22/h2-3,6-7,10-11H,4-5,8-9H2,1H3