[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (E)-3-(4-benzyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-phenylmethoxyphenyl)-2-propenoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxyphenyl)acrylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C=CC1=CC=C(C=C1)OCC2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)/C=C/C1=CC=C(C=C1)OCC2=CC=CC=C2)/N

InChI

InChI=1S/C22H20N2O4/c1-16(24)20(13-23)21(25)15-28-22(26)12-9-17-7-10-19(11-8-17)27-14-18-5-3-2-4-6-18/h2-12H,14-15,24H2,1H3/b12-9+,20-16+