[4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-4-ylmethylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chloranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-4-ylmethylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(4-pyridylmethylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(E)-2-cyano-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-enyl]-2-methoxyphenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(4-pyridylmethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H18ClN3O4 MolecularWeight: 447.87042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=NC=C2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H18ClN3O4/c1-31-22-13-17(2-7-21(22)32-24(30)18-3-5-20(25)6-4-18)12-19(14-26)23(29)28-15-16-8-10-27-11-9-16/h2-13H,15H2,1H3,(H,28,29)/b19-12+