methyl 2-[3-[(4-methylphenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[3-[(4-methylphenyl)carbonylamino]isoindol-1-ylidene]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[3-[(4-methylbenzoyl)amino]isoindol-1-ylidene]-3-oxo-butanoate CAS Name: 2-[3-[[(4-methylphenyl)-oxomethyl]amino]-1-isoindolylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[3-[(4-methylbenzoyl)amino]isoindol-1-ylidene]-3-oxobutanoate Traditional Name: 3-keto-2-[3-(p-toluoylamino)isoindol-1-ylidene]butyric acid methyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC(=C(C(=O)C)C(=O)OC)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC(=C(C(=O)C)C(=O)OC)C3=CC=CC=C32

InChI

InChI=1S/C21H18N2O4/c1-12-8-10-14(11-9-12)20(25)23-19-16-7-5-4-6-15(16)18(22-19)17(13(2)24)21(26)27-3/h4-11H,1-3H3,(H,22,23,25)