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

Systemtic Name: 2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylhydrazinylidene]methyl]-6-methyl-4-nitro-phenolate Openeye Name: 2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazono]methyl]-6-methyl-4-nitro-phenolate CAS Name: 2-[(E)-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]hydrazinylidene]methyl]-6-methyl-4-nitrophenolate IUPAC Name: 2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinylidene]methyl]-6-methyl-4-nitrophenolate Traditional Name: 2-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]hydrazono]methyl]-6-methyl-4-nitro-phenolate Formula: C17H14N3O6- MolecularWeight: 356.30956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2COC3=CC=CC=C3O2)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)[C@@H]2COC3=CC=CC=C3O2)[O-]

InChI

InChI=1S/C17H15N3O6/c1-10-6-12(20(23)24)7-11(16(10)21)8-18-19-17(22)15-9-25-13-4-2-3-5-14(13)26-15/h2-8,15,21H,9H2,1H3,(H,19,22)/p-1/b18-8+/t15-/m0/s1