4-[5-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: 4-[5-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoate Formula: C22H15N2O4- MolecularWeight: 371.3655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C22H16N2O4/c23-13-18(21(25)24-14-15-4-2-1-3-5-15)12-19-10-11-20(28-19)16-6-8-17(9-7-16)22(26)27/h1-12H,14H2,(H,24,25)(H,26,27)/p-1/b18-12+