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

Systemtic Name: 4-[1-[(4-cyanophenyl)methyl]pyrrol-2-yl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[1-[(4-cyanophenyl)methyl]pyrrol-2-yl]-2,4-dioxo-butanoic acid CAS Name: 4-[1-[(4-cyanophenyl)methyl]-2-pyrrolyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[1-[(4-cyanophenyl)methyl]pyrrol-2-yl]-2,4-dioxobutanoic acid Traditional Name: 4-[1-(4-cyanobenzyl)pyrrol-2-yl]-2,4-diketo-butyric acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C(=O)CC(=O)C(=O)O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CN(C(=C1)C(=O)CC(=O)C(=O)O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H12N2O4/c17-9-11-3-5-12(6-4-11)10-18-7-1-2-13(18)14(19)8-15(20)16(21)22/h1-7H,8,10H2,(H,21,22)