4-[(Z)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazono)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 2-methoxy-6-nitro-4-[(Z)-(piperonyloylhydrazono)methyl]phenolate Formula: C16H12N3O7- MolecularWeight: 358.28238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=N\NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13N3O7/c1-24-14-5-9(4-11(15(14)20)19(22)23)7-17-18-16(21)10-2-3-12-13(6-10)26-8-25-12/h2-7,20H,8H2,1H3,(H,18,21)/p-1/b17-7-