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

Systemtic Name: 2-[5-[(E)-3-[(3-chloranyl-4-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: 2-[5-[(E)-3-(3-chloro-4-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 2-[5-[(E)-3-(3-chloro-4-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoate IUPAC Name: 2-[5-[(E)-3-(3-chloro-4-methylanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 2-[5-[(E)-3-(3-chloro-4-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoate Formula: C22H14ClN2O4- MolecularWeight: 405.81056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3C(=O)[O-])C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)C3=CC=CC=C3C(=O)[O-])/C#N)Cl

InChI

InChI=1S/C22H15ClN2O4/c1-13-6-7-15(11-19(13)23)25-21(26)14(12-24)10-16-8-9-20(29-16)17-4-2-3-5-18(17)22(27)28/h2-11H,1H3,(H,25,26)(H,27,28)/p-1/b14-10+