4-[(E)-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C18H17N2O6- MolecularWeight: 357.33738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C18H18N2O6/c1-4-26-18(23)16-10(2)17(19-11(16)3)15(22)8-6-12-5-7-14(21)13(9-12)20(24)25/h5-9,19,21H,4H2,1-3H3/p-1/b8-6+