3-[5-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid

Systemtic Name: 3-[5-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NC(C)C

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC(C)C

InChI

InChI=1S/C19H18N2O4/c1-11(2)21-18(22)13(10-20)9-14-7-8-17(25-14)15-5-4-6-16(12(15)3)19(23)24/h4-9,11H,1-3H3,(H,21,22)(H,23,24)/b13-9+