4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C17H12NO7- MolecularWeight: 342.27968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H13NO7/c1-23-16-7-10(6-12(17(16)20)18(21)22)2-4-13(19)11-3-5-14-15(8-11)25-9-24-14/h2-8,20H,9H2,1H3/p-1/b4-2+