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

Systemtic Name: 4-[5-[(E)-3-[(3-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-3-(3-chloro-2-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(E)-3-(3-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-(3-chloro-2-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=CC=C1Cl)NC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C22H15ClN2O4/c1-13-18(23)3-2-4-19(13)25-21(26)16(12-24)11-17-9-10-20(29-17)14-5-7-15(8-6-14)22(27)28/h2-11H,1H3,(H,25,26)(H,27,28)/p-1/b16-11+