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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN2O4/c1-13-3-2-4-16(9-13)25-21(26)15(12-24)10-17-6-8-20(29-17)14-5-7-18(22(27)28)19(23)11-14/h2-11H,1H3,(H,25,26)(H,27,28)/p-1/b15-10+