methyl 2-[5-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: methyl 2-[5-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]furan-2-yl]benzoate Openeye Name: methyl 2-[5-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 2-[5-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid methyl ester Formula: C23H18N2O4 MolecularWeight: 386.40002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C(\C#N)/C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H18N2O4/c1-28-23(27)20-10-6-5-9-19(20)21-12-11-18(29-21)13-17(14-24)22(26)25-15-16-7-3-2-4-8-16/h2-13H,15H2,1H3,(H,25,26)/b17-13+