(E)-6-[1-[(2-methylphenyl)methyl]pyrrol-2-yl]-2,4-bis(oxidanylidene)hex-5-enoic acid

Systemtic Name: (E)-6-[1-[(2-methylphenyl)methyl]pyrrol-2-yl]-2,4-bis(oxidanylidene)hex-5-enoic acid Openeye Name: (E)-6-[1-(o-tolylmethyl)pyrrol-2-yl]-2,4-dioxo-hex-5-enoic acid CAS Name: (E)-6-[1-[(2-methylphenyl)methyl]-2-pyrrolyl]-2,4-dioxo-5-hexenoic acid IUPAC Name: (E)-6-[1-[(2-methylphenyl)methyl]pyrrol-2-yl]-2,4-dioxohex-5-enoic acid Traditional Name: (E)-2,4-diketo-6-[1-(2-methylbenzyl)pyrrol-2-yl]hex-5-enoic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C=CC(=O)CC(=O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4/c1-13-5-2-3-6-14(13)12-19-10-4-7-15(19)8-9-16(20)11-17(21)18(22)23/h2-10H,11-12H2,1H3,(H,22,23)/b9-8+