[4-[(E)-(cyclopropylcarbonylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-[(E)-(cyclopropylcarbonylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[(E)-(cyclopropanecarbonylhydrazono)methyl]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-[[cyclopropyl(oxo)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-(cyclopropanecarbonylhydrazono)methyl]phenyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C=NNC(=O)C3CC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3CC3

InChI

InChI=1S/C21H22N2O6/c1-26-17-10-15(11-18(27-2)19(17)28-3)21(25)29-16-8-4-13(5-9-16)12-22-23-20(24)14-6-7-14/h4-5,8-12,14H,6-7H2,1-3H3,(H,23,24)/b22-12+