methyl 4-[[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]amino]benzoate

Systemtic Name: methyl 4-[[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]amino]benzoate Openeye Name: methyl 4-[[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-keto-3-(p-anisylamino)prop-1-enyl]amino]benzoic acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(=CNC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)/C(=C/NC2=CC=C(C=C2)C(=O)OC)/C#N

InChI

InChI=1S/C20H19N3O4/c1-26-18-9-3-14(4-10-18)12-23-19(24)16(11-21)13-22-17-7-5-15(6-8-17)20(25)27-2/h3-10,13,22H,12H2,1-2H3,(H,23,24)/b16-13+