4-[(3,4-dimethanoyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(3,4-dimethanoyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoic acid Openeye Name: 4-[(3,4-diformyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoic acid CAS Name: 4-[(3,4-diformyl-2,5-dimethyl-1-pyrrolyl)methyl]benzoic acid IUPAC Name: 4-[(3,4-diformyl-2,5-dimethylpyrrol-1-yl)methyl]benzoic acid Traditional Name: 4-[(3,4-diformyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=C(C=C2)C(=O)O)C)C=O)C=O

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=C(C=C2)C(=O)O)C)C=O)C=O

InChI

InChI=1S/C16H15NO4/c1-10-14(8-18)15(9-19)11(2)17(10)7-12-3-5-13(6-4-12)16(20)21/h3-6,8-9H,7H2,1-2H3,(H,20,21)