methyl 3-oxidanylidene-2-[3-(3-phenylprop-2-enoylamino)isoindol-1-ylidene]butanoate

Systemtic Name: methyl 3-oxidanylidene-2-[3-(3-phenylprop-2-enoylamino)isoindol-1-ylidene]butanoate Openeye Name: methyl 3-oxo-2-[3-(3-phenylprop-2-enoylamino)isoindol-1-ylidene]butanoate CAS Name: 3-oxo-2-[3-[(1-oxo-3-phenylprop-2-enyl)amino]-1-isoindolylidene]butanoic acid methyl ester IUPAC Name: methyl 3-oxo-2-[3-(3-phenylprop-2-enoylamino)isoindol-1-ylidene]butanoate Traditional Name: 2-(3-cinnamamidoisoindol-1-ylidene)-3-keto-butyric acid methyl ester Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C=CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C=CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H18N2O4/c1-14(25)19(22(27)28-2)20-16-10-6-7-11-17(16)21(24-20)23-18(26)13-12-15-8-4-3-5-9-15/h3-13H,1-2H3,(H,23,24,26)