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

Systemtic Name: 2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylhydrazinylidene]methyl]-6-nitro-phenolate Openeye Name: 2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazono]methyl]-6-nitro-phenolate CAS Name: 2-[(E)-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinylidene]methyl]-6-nitrophenolate Traditional Name: 2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]hydrazono]methyl]-6-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)[N+](=O)[O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O6/c20-15-10(4-3-5-11(15)19(22)23)8-17-18-16(21)14-9-24-12-6-1-2-7-13(12)25-14/h1-8,14,20H,9H2,(H,18,21)/p-1/b17-8+/t14-/m0/s1