3-[[2-cyano-3-(4-iodophenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(4-iodophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(4-iodophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(4-iodophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(4-iodophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(4-iodophenyl)acryloyl]amino]benzoic acid Formula: C17H11IN2O3 MolecularWeight: 418.18531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)I)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)I)C#N)C(=O)O

InChI

InChI=1S/C17H11IN2O3/c18-14-6-4-11(5-7-14)8-13(10-19)16(21)20-15-3-1-2-12(9-15)17(22)23/h1-9H,(H,20,21)(H,22,23)