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

Systemtic Name: 4-bromanyl-2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylhydrazinylidene]methyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazono]methyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[(E)-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinylidene]methyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]hydrazono]methyl]-6-nitro-phenolate Formula: C16H11BrN3O6- MolecularWeight: 421.17904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O6/c17-10-5-9(15(21)11(6-10)20(23)24)7-18-19-16(22)14-8-25-12-3-1-2-4-13(12)26-14/h1-7,14,21H,8H2,(H,19,22)/p-1/b18-7+/t14-/m0/s1