ethyl (E)-2-cyano-3-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-[(4-ethoxyphenyl)carbamoyl]anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-[(4-ethoxyphenyl)carbamoyl]anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(p-phenetylcarbamoyl)anilino]acrylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC=C(C#N)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C21H21N3O4/c1-3-27-19-11-9-18(10-12-19)24-20(25)15-5-7-17(8-6-15)23-14-16(13-22)21(26)28-4-2/h5-12,14,23H,3-4H2,1-2H3,(H,24,25)/b16-14+