2-[ethylcarbamoyl(phenyl)amino]-5-iodanyl-terephthalic acid

Systemtic Name: 2-[ethylcarbamoyl(phenyl)amino]-5-iodanyl-terephthalic acid Openeye Name: 2-[N-(ethylcarbamoyl)anilino]-5-iodo-terephthalic acid CAS Name: 2-[N-(ethylcarbamoyl)anilino]-5-iodoterephthalic acid IUPAC Name: 2-[N-(ethylcarbamoyl)anilino]-5-iodoterephthalic acid Traditional Name: 2-[N-(ethylcarbamoyl)anilino]-5-iodo-terephthalic acid Formula: C17H15IN2O5 MolecularWeight: 454.21587

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(C1=CC=CC=C1)C2=C(C=C(C(=C2)C(=O)O)I)C(=O)O

Isomeric SMILES

CCNC(=O)N(C1=CC=CC=C1)C2=C(C=C(C(=C2)C(=O)O)I)C(=O)O

InChI

InChI=1S/C17H15IN2O5/c1-2-19-17(25)20(10-6-4-3-5-7-10)14-9-11(15(21)22)13(18)8-12(14)16(23)24/h3-9H,2H2,1H3,(H,19,25)(H,21,22)(H,23,24)