2-[(4-ethoxy-4-oxidanylidene-butan-2-yl)carbamoyl]-3-iodanyl-benzoic acid

Systemtic Name: 2-[(4-ethoxy-4-oxidanylidene-butan-2-yl)carbamoyl]-3-iodanyl-benzoic acid Openeye Name: 2-[(3-ethoxy-1-methyl-3-oxo-propyl)carbamoyl]-3-iodo-benzoic acid CAS Name: 2-[[(4-ethoxy-4-oxobutan-2-yl)amino]-oxomethyl]-3-iodobenzoic acid IUPAC Name: 2-[(4-ethoxy-4-oxobutan-2-yl)carbamoyl]-3-iodobenzoic acid Traditional Name: 2-[(3-ethoxy-3-keto-1-methyl-propyl)carbamoyl]-3-iodo-benzoic acid Formula: C14H16INO5 MolecularWeight: 405.18501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=O)C1=C(C=CC=C1I)C(=O)O

Isomeric SMILES

CCOC(=O)CC(C)NC(=O)C1=C(C=CC=C1I)C(=O)O

InChI

InChI=1S/C14H16INO5/c1-3-21-11(17)7-8(2)16-13(18)12-9(14(19)20)5-4-6-10(12)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)(H,19,20)