4-[5-[(E)-[(5-bromanyl-2-methoxy-phenyl)carbonylhydrazinylidene]methyl]furan-2-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[5-[(E)-[(5-bromanyl-2-methoxy-phenyl)carbonylhydrazinylidene]methyl]furan-2-yl]-3-methyl-benzoic acid Openeye Name: 4-[5-[(E)-[(5-bromo-2-methoxy-benzoyl)hydrazono]methyl]-2-furyl]-3-methyl-benzoic acid CAS Name: 4-[5-[(E)-[[(5-bromo-2-methoxyphenyl)-oxomethyl]hydrazinylidene]methyl]-2-furanyl]-3-methylbenzoic acid IUPAC Name: 4-[5-[(E)-[(5-bromo-2-methoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]-3-methylbenzoic acid Traditional Name: 4-[5-[(E)-[(5-bromo-2-methoxy-benzoyl)hydrazono]methyl]-2-furyl]-3-methyl-benzoic acid Formula: C21H17BrN2O5 MolecularWeight: 457.27408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=N/NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H17BrN2O5/c1-12-9-13(21(26)27)3-6-16(12)19-8-5-15(29-19)11-23-24-20(25)17-10-14(22)4-7-18(17)28-2/h3-11H,1-2H3,(H,24,25)(H,26,27)/b23-11+