2-[[3-methoxy-4-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-phenyl]methylideneamino]benzoic acid

Systemtic Name: 2-[[3-methoxy-4-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-phenyl]methylideneamino]benzoic acid Openeye Name: 2-[[4-(4-hydroxy-4-oxo-butanoyl)oxy-3-methoxy-phenyl]methyleneamino]benzoic acid CAS Name: 2-[[4-(4-hydroxy-1,4-dioxobutoxy)-3-methoxyphenyl]methylideneamino]benzoic acid IUPAC Name: 2-[[4-(4-hydroxy-4-oxobutanoyl)oxy-3-methoxyphenyl]methylideneamino]benzoic acid Traditional Name: 2-[[4-(4-hydroxy-4-keto-butanoyl)oxy-3-methoxy-benzylidene]amino]benzoic acid Formula: C19H17NO7 MolecularWeight: 371.34078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NC2=CC=CC=C2C(=O)O)OC(=O)CCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=NC2=CC=CC=C2C(=O)O)OC(=O)CCC(=O)O

InChI

InChI=1S/C19H17NO7/c1-26-16-10-12(6-7-15(16)27-18(23)9-8-17(21)22)11-20-14-5-3-2-4-13(14)19(24)25/h2-7,10-11H,8-9H2,1H3,(H,21,22)(H,24,25)