(5-ethanoyl-2-ethoxy-phenyl)methyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

InChI

InChI=1S/C23H21NO6/c1-4-10-24-21(26)18-8-6-16(12-19(18)22(24)27)23(28)30-13-17-11-15(14(3)25)7-9-20(17)29-5-2/h4,6-9,11-12H,1,5,10,13H2,2-3H3