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

Systemtic Name: 2-chloranyl-5-[5-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]furan-2-yl]benzoate Openeye Name: 5-[5-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[5-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-furanyl]benzoate IUPAC Name: 5-[5-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoate Traditional Name: 5-[5-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]-2-chloro-benzoate Formula: C22H14ClN2O4- MolecularWeight: 405.81056

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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)Cl)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)Cl)C(=O)[O-])/C#N

InChI

InChI=1S/C22H15ClN2O4/c23-19-8-6-15(11-18(19)22(27)28)20-9-7-17(29-20)10-16(12-24)21(26)25-13-14-4-2-1-3-5-14/h1-11H,13H2,(H,25,26)(H,27,28)/p-1/b16-10+