2-chloranyl-4-[5-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-[5-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-4-[5-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-[5-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]-2-furyl]benzoic acid Formula: C18H15ClN2O5 MolecularWeight: 374.7751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O5/c1-25-7-6-21-17(22)12(10-20)8-13-3-5-16(26-13)11-2-4-14(18(23)24)15(19)9-11/h2-5,8-9H,6-7H2,1H3,(H,21,22)(H,23,24)/b12-8+