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

Systemtic Name: 2-chloranyl-5-[5-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-5-[5-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-chloro-5-[5-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-5-[5-[(E)-2-cyano-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-5-[5-[(E)-2-cyano-3-keto-3-(3-methoxypropylamino)prop-1-enyl]-2-furyl]benzoic acid Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(=CC1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(=O)O)C#N

Isomeric SMILES

COCCCNC(=O)/C(=C/C1=CC=C(O1)C2=CC(=C(C=C2)Cl)C(=O)O)/C#N

InChI

InChI=1S/C19H17ClN2O5/c1-26-8-2-7-22-18(23)13(11-21)9-14-4-6-17(27-14)12-3-5-16(20)15(10-12)19(24)25/h3-6,9-10H,2,7-8H2,1H3,(H,22,23)(H,24,25)/b13-9+