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

Systemtic Name: 3-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 3-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 3-[(E)-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 3-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 3-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]hydrazono]methyl]-4-nitro-phenolate Formula: C16H12N3O6- MolecularWeight: 342.28298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=C(C=CC(=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)N/N=C/C3=C(C=CC(=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6/c20-11-5-6-12(19(22)23)10(7-11)8-17-18-16(21)15-9-24-13-3-1-2-4-14(13)25-15/h1-8,15,20H,9H2,(H,18,21)/p-1/b17-8+/t15-/m0/s1