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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O4/c1-14-4-2-7-18(10-14)24-21(25)17(13-23)12-19-8-9-20(28-19)15-5-3-6-16(11-15)22(26)27/h2-12H,1H3,(H,24,25)(H,26,27)/p-1/b17-12+