diethyl 2-[[(E)-but-2-enoyl]amino]-2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: diethyl 2-[[(E)-but-2-enoyl]amino]-2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: diethyl 2-[[(E)-but-2-enoyl]amino]-2-[2-(3-methoxyphenyl)-2-oxo-ethyl]propanedioate CAS Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]-2-[[(E)-1-oxobut-2-enyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(E)-but-2-enoyl]amino]-2-[2-(3-methoxyphenyl)-2-oxoethyl]propanedioate Traditional Name: 2-[[(E)-but-2-enoyl]amino]-2-[2-keto-2-(3-methoxyphenyl)ethyl]malonic acid diethyl ester Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC(=CC=C1)OC)(C(=O)OCC)NC(=O)C=CC

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC(=CC=C1)OC)(C(=O)OCC)NC(=O)/C=C/C

InChI

InChI=1S/C20H25NO7/c1-5-9-17(23)21-20(18(24)27-6-2,19(25)28-7-3)13-16(22)14-10-8-11-15(12-14)26-4/h5,8-12H,6-7,13H2,1-4H3,(H,21,23)/b9-5+