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

Systemtic Name: methyl 4-[[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N)OCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H18N2O5/c1-25-18-10-14(9-16(11-21)19(22)23)5-8-17(18)27-12-13-3-6-15(7-4-13)20(24)26-2/h3-10H,12H2,1-2H3,(H2,22,23)/b16-9+