4-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)-2,6-dinitro-phenolate

Systemtic Name: 4-(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)-2,6-dinitro-phenolate Openeye Name: 4-(3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)-2,6-dinitro-phenolate CAS Name: 4-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)-2,6-dinitrophenolate IUPAC Name: 4-(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)-2,6-dinitrophenolate Traditional Name: 4-(2-carbethoxy-3-ethoxy-3-keto-prop-1-enyl)-2,6-dinitro-phenolate Formula: C14H13N2O9- MolecularWeight: 353.26102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C(=C1)[N+](=O)[O-])[O-])[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=CC(=C(C(=C1)[N+](=O)[O-])[O-])[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C14H14N2O9/c1-3-24-13(18)9(14(19)25-4-2)5-8-6-10(15(20)21)12(17)11(7-8)16(22)23/h5-7,17H,3-4H2,1-2H3/p-1