4-[1-[(2-methylphenyl)methyl]pyrrol-3-yl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[1-[(2-methylphenyl)methyl]pyrrol-3-yl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[1-(o-tolylmethyl)pyrrol-3-yl]-2,4-dioxo-butanoic acid CAS Name: 4-[1-[(2-methylphenyl)methyl]-3-pyrrolyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[1-[(2-methylphenyl)methyl]pyrrol-3-yl]-2,4-dioxobutanoic acid Traditional Name: 2,4-diketo-4-[1-(2-methylbenzyl)pyrrol-3-yl]butyric acid Formula: C16H15NO4 MolecularWeight: 285.2946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=C2)C(=O)CC(=O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=C2)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C16H15NO4/c1-11-4-2-3-5-12(11)9-17-7-6-13(10-17)14(18)8-15(19)16(20)21/h2-7,10H,8-9H2,1H3,(H,20,21)