[4-[2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-iodanylbenzoate

Systemtic Name: [4-[2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-iodanylbenzoate Openeye Name: [4-[2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C20H17IN2O4 MolecularWeight: 476.26445

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2I)C#N

Isomeric SMILES

COCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2I)C#N

InChI

InChI=1S/C20H17IN2O4/c1-26-11-10-23-19(24)15(13-22)12-14-6-8-16(9-7-14)27-20(25)17-4-2-3-5-18(17)21/h2-9,12H,10-11H2,1H3,(H,23,24)