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

Systemtic Name: 2-[2-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenoxy]acetic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=CC=C1OCC(=O)O)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CC=CC=C1OCC(=O)O)/C#N

InChI

InChI=1S/C16H18N2O4/c1-2-3-8-18-16(21)13(10-17)9-12-6-4-5-7-14(12)22-11-15(19)20/h4-7,9H,2-3,8,11H2,1H3,(H,18,21)(H,19,20)/b13-9+