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

Systemtic Name: [4-[3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 2-iodanylbenzoate Openeye Name: [4-[3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C21H19IN2O3 MolecularWeight: 474.29163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19IN2O3/c1-2-3-12-24-20(25)16(14-23)13-15-8-10-17(11-9-15)27-21(26)18-6-4-5-7-19(18)22/h4-11,13H,2-3,12H2,1H3,(H,24,25)