2-[2-[(E)-3-[(4-acetamidophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-3-[(4-acetamidophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-3-(4-acetamidoanilino)-2-cyano-3-keto-prop-1-enyl]phenoxy]acetic acid Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OCC(=O)O)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OCC(=O)O)/C#N

InChI

InChI=1S/C20H17N3O5/c1-13(24)22-16-6-8-17(9-7-16)23-20(27)15(11-21)10-14-4-2-3-5-18(14)28-12-19(25)26/h2-10H,12H2,1H3,(H,22,24)(H,23,27)(H,25,26)/b15-10+