[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(3-acetamidoanilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(3-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)C(=CC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N

InChI

InChI=1S/C21H19N3O5/c1-14(25)23-17-4-3-5-18(11-17)24-20(26)13-29-21(27)16(12-22)10-15-6-8-19(28-2)9-7-15/h3-11H,13H2,1-2H3,(H,23,25)(H,24,26)/b16-10+