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

Systemtic Name: 4-[(E)-(4-ethoxycarbonyl-5-methyl-3-oxidanylidene-1H-pyrrol-2-ylidene)methyl]benzoic acid Openeye Name: 4-[(E)-(4-ethoxycarbonyl-5-methyl-3-oxo-1H-pyrrol-2-ylidene)methyl]benzoic acid CAS Name: 4-[(E)-(4-ethoxycarbonyl-5-methyl-3-oxo-1H-pyrrol-2-ylidene)methyl]benzoic acid IUPAC Name: 4-[(E)-(4-ethoxycarbonyl-5-methyl-3-oxo-1H-pyrrol-2-ylidene)methyl]benzoic acid Traditional Name: 4-[(E)-(4-carbethoxy-3-keto-5-methyl-2-pyrrolin-2-ylidene)methyl]benzoic acid Formula: C16H15NO5 MolecularWeight: 301.294

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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)/b12-8+