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

Systemtic Name: 4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C18H14NO7- MolecularWeight: 356.30626

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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)OCCO3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H15NO7/c1-24-17-9-11(8-13(18(17)21)19(22)23)2-4-14(20)12-3-5-15-16(10-12)26-7-6-25-15/h2-5,8-10,21H,6-7H2,1H3/p-1/b4-2+