[4-[(E)-[(5-bromanylfuran-2-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzoate

Systemtic Name: [4-[(E)-[(5-bromanylfuran-2-yl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-[(5-bromofuran-2-carbonyl)hydrazono]methyl]-2-methoxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-[[(5-bromo-2-furanyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-[(5-bromo-2-furoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C21H17BrN2O5 MolecularWeight: 457.27408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CC=C(O3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=C(O3)Br)OC

InChI

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