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

Systemtic Name: 4-[(E)-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C19H19N2O7- MolecularWeight: 387.36336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7/c1-5-28-19(24)16-10(2)17(20-11(16)3)14(22)7-6-12-8-13(21(25)26)18(23)15(9-12)27-4/h6-9,20,23H,5H2,1-4H3/p-1/b7-6+