[2-methoxy-4-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-(tert-butoxycarbonylhydrazono)methyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-methoxy-4-[(E)-[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-(tert-butoxycarbonylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN=CC1=CC(=C(C=C1)OC(=O)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C21H22N2O7/c1-21(2,3)30-20(25)23-22-11-13-5-7-16(17(9-13)26-4)29-19(24)14-6-8-15-18(10-14)28-12-27-15/h5-11H,12H2,1-4H3,(H,23,25)/b22-11+