2-[[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-5-iodanyl-benzoic acid Openeye Name: 2-[[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-5-iodo-benzoic acid CAS Name: 2-[[(E)-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-5-iodobenzoic acid Traditional Name: 2-[[(E)-3-(4-dimethylaminophenyl)acryloyl]amino]-5-iodo-benzoic acid Formula: C18H17IN2O3 MolecularWeight: 436.24365

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC(=O)NC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C18H17IN2O3/c1-21(2)14-7-3-12(4-8-14)5-10-17(22)20-16-9-6-13(19)11-15(16)18(23)24/h3-11H,1-2H3,(H,20,22)(H,23,24)/b10-5+