2-[4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-iodanyl-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-iodanyl-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-iodo-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-iodo-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-iodo-6-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-iodo-6-methoxy-phenoxy]acetic acid Formula: C16H17IN2O5 MolecularWeight: 444.22105

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC(=C(C(=C1)I)OCC(=O)O)OC)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C/C1=CC(=C(C(=C1)I)OCC(=O)O)OC)/C#N

InChI

InChI=1S/C16H17IN2O5/c1-9(2)19-16(22)11(7-18)4-10-5-12(17)15(13(6-10)23-3)24-8-14(20)21/h4-6,9H,8H2,1-3H3,(H,19,22)(H,20,21)/b11-4+