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

Systemtic Name: 2-chloranyl-5-[5-[(E)-2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 5-[5-[(E)-3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]-2-chloro-benzoic acid CAS Name: 2-chloro-5-[5-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-5-[5-[(E)-2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 5-[5-[(E)-3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]-2-chloro-benzoic acid Formula: C18H13ClN2O4 MolecularWeight: 356.75982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O4/c1-2-7-21-17(22)12(10-20)8-13-4-6-16(25-13)11-3-5-15(19)14(9-11)18(23)24/h2-6,8-9H,1,7H2,(H,21,22)(H,23,24)/b12-8+