ethyl 3-oxidanylidene-2-[3-(pyridin-3-ylcarbonylamino)isoindol-1-ylidene]butanoate

Systemtic Name: ethyl 3-oxidanylidene-2-[3-(pyridin-3-ylcarbonylamino)isoindol-1-ylidene]butanoate Openeye Name: ethyl 3-oxo-2-[3-(pyridine-3-carbonylamino)isoindol-1-ylidene]butanoate CAS Name: 3-oxo-2-[3-[[oxo(3-pyridinyl)methyl]amino]-1-isoindolylidene]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-2-[3-(pyridine-3-carbonylamino)isoindol-1-ylidene]butanoate Traditional Name: 3-keto-2-(3-nicotinamidoisoindol-1-ylidene)butyric acid ethyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CN=CC=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CN=CC=C3)C(=O)C

InChI

InChI=1S/C20H17N3O4/c1-3-27-20(26)16(12(2)24)17-14-8-4-5-9-15(14)18(22-17)23-19(25)13-7-6-10-21-11-13/h4-11H,3H2,1-2H3,(H,22,23,25)