3-[2-carboxyethyl-[4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-iodanyl-phenyl]amino]propanoic acid

Systemtic Name: 3-[2-carboxyethyl-[4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-iodanyl-phenyl]amino]propanoic acid Openeye Name: 3-[N-(2-carboxyethyl)-4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-iodo-anilino]propanoic acid CAS Name: 3-[N-(2-carboxyethyl)-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-iodoanilino]propanoic acid IUPAC Name: 3-[N-(2-carboxyethyl)-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-iodoanilino]propanoic acid Traditional Name: 3-[N-(2-carboxyethyl)-4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-iodo-anilino]propionic acid Formula: C18H19IN2O6 MolecularWeight: 486.25773

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)N(CCC(=O)O)CCC(=O)O)I)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)N(CCC(=O)O)CCC(=O)O)I)/C#N

InChI

InChI=1S/C18H19IN2O6/c1-2-27-18(26)13(11-20)9-12-3-4-15(14(19)10-12)21(7-5-16(22)23)8-6-17(24)25/h3-4,9-10H,2,5-8H2,1H3,(H,22,23)(H,24,25)/b13-9+