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

Systemtic Name: 4-[(E)-(3-methoxycarbonyl-2-methyl-4-oxidanylidene-3H-pyrrol-5-ylidene)methyl]benzoic acid Openeye Name: 4-[(E)-(3-methoxycarbonyl-2-methyl-4-oxo-3H-pyrrol-5-ylidene)methyl]benzoic acid CAS Name: 4-[(E)-(3-methoxycarbonyl-2-methyl-4-oxo-3H-pyrrol-5-ylidene)methyl]benzoic acid IUPAC Name: 4-[(E)-(3-methoxycarbonyl-2-methyl-4-oxo-3H-pyrrol-5-ylidene)methyl]benzoic acid Traditional Name: 4-[(E)-(4-carbomethoxy-3-keto-5-methyl-1-pyrrolin-2-ylidene)methyl]benzoic acid Formula: C15H13NO5 MolecularWeight: 287.26742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC=C(C=C2)C(=O)O)C(=O)C1C(=O)OC

Isomeric SMILES

CC1=N/C(=C/C2=CC=C(C=C2)C(=O)O)/C(=O)C1C(=O)OC

InChI

InChI=1S/C15H13NO5/c1-8-12(15(20)21-2)13(17)11(16-8)7-9-3-5-10(6-4-9)14(18)19/h3-7,12H,1-2H3,(H,18,19)/b11-7+