2-[carboxymethyl-[2-[(3-iodanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-[(3-iodanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-(3-iodo-4-methyl-anilino)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-(3-iodo-4-methylanilino)-2-oxoethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-(3-iodo-4-methylanilino)-2-oxoethyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-(3-iodo-4-methyl-anilino)-2-keto-ethyl]amino]acetic acid Formula: C13H15IN2O5 MolecularWeight: 406.17307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN(CC(=O)O)CC(=O)O)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN(CC(=O)O)CC(=O)O)I

InChI

InChI=1S/C13H15IN2O5/c1-8-2-3-9(4-10(8)14)15-11(17)5-16(6-12(18)19)7-13(20)21/h2-4H,5-7H2,1H3,(H,15,17)(H,18,19)(H,20,21)