3-[[4-[(E)-2-cyano-3-[(2-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: 3-[[4-[(E)-2-cyano-3-[(2-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: 3-[[4-[(E)-2-cyano-3-(2-ethylanilino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 3-[[4-[(E)-2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate IUPAC Name: 3-[[4-[(E)-2-cyano-3-(2-ethylanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 3-[[4-[(E)-2-cyano-3-(2-ethylanilino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoate Formula: C26H21N2O4- MolecularWeight: 425.45594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=CC(=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C26H22N2O4/c1-2-20-7-3-4-9-24(20)28-25(29)22(16-27)14-18-10-12-23(13-11-18)32-17-19-6-5-8-21(15-19)26(30)31/h3-15H,2,17H2,1H3,(H,28,29)(H,30,31)/p-1/b22-14+