4-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylhydrazinylidene]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylhydrazinylidene]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazono]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]hydrazono]methyl]-2-methoxy-6-nitro-phenolate Formula: C17H14N3O7- MolecularWeight: 372.30896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=NNC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=N/NC(=O)[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H15N3O7/c1-25-14-7-10(6-11(16(14)21)20(23)24)8-18-19-17(22)15-9-26-12-4-2-3-5-13(12)27-15/h2-8,15,21H,9H2,1H3,(H,19,22)/p-1/b18-8+/t15-/m0/s1