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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-2-methoxy-phenyl] 2-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-isopropoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-methoxyphenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-isopropoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)OC)C#N

Isomeric SMILES

CC(C)OC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)OC)/C#N

InChI

InChI=1S/C21H18ClNO5/c1-13(2)27-20(24)15(12-23)10-14-8-9-18(19(11-14)26-3)28-21(25)16-6-4-5-7-17(16)22/h4-11,13H,1-3H3/b15-10+