4-[(E)-(4-ethoxycarbonyl-5-methyl-3-oxidanylidene-1H-pyrrol-2-ylidene)methyl]benzoate

Systemtic Name: 4-[(E)-(4-ethoxycarbonyl-5-methyl-3-oxidanylidene-1H-pyrrol-2-ylidene)methyl]benzoate Openeye Name: 4-[(E)-(4-ethoxycarbonyl-5-methyl-3-oxo-1H-pyrrol-2-ylidene)methyl]benzoate CAS Name: 4-[(E)-(4-ethoxycarbonyl-5-methyl-3-oxo-1H-pyrrol-2-ylidene)methyl]benzoate IUPAC Name: 4-[(E)-(4-ethoxycarbonyl-5-methyl-3-oxo-1H-pyrrol-2-ylidene)methyl]benzoate Traditional Name: 4-[(E)-(4-carbethoxy-3-keto-5-methyl-2-pyrrolin-2-ylidene)methyl]benzoate Formula: C16H14NO5- MolecularWeight: 300.28606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5/c1-3-22-16(21)13-9(2)17-12(14(13)18)8-10-4-6-11(7-5-10)15(19)20/h4-8,17H,3H2,1-2H3,(H,19,20)/p-1/b12-8+