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

Systemtic Name: 2-[5-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-[5-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-[5-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-[5-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-[5-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]-2-furyl]benzoic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(=CC1=CC=C(O1)C2=CC=CC=C2C(=O)O)C#N

Isomeric SMILES

COCCNC(=O)/C(=C/C1=CC=C(O1)C2=CC=CC=C2C(=O)O)/C#N

InChI

InChI=1S/C18H16N2O5/c1-24-9-8-20-17(21)12(11-19)10-13-6-7-16(25-13)14-4-2-3-5-15(14)18(22)23/h2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23)/b12-10+