methyl 2-[[2-cyano-3-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-cyano-3-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[2-cyano-3-(3-ethoxy-5-iodo-4-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[2-cyano-3-(3-ethoxy-5-iodo-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[2-cyano-3-(3-ethoxy-5-iodo-4-methoxy-phenyl)acryloyl]amino]benzoic acid methyl ester Formula: C21H19IN2O5 MolecularWeight: 506.29043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)I)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OC)I)OC

InChI

InChI=1S/C21H19IN2O5/c1-4-29-18-11-13(10-16(22)19(18)27-2)9-14(12-23)20(25)24-17-8-6-5-7-15(17)21(26)28-3/h5-11H,4H2,1-3H3,(H,24,25)