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

Systemtic Name: 4-[1-[(3-cyanophenyl)methyl]pyrrol-3-yl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[1-[(3-cyanophenyl)methyl]pyrrol-3-yl]-2,4-dioxo-butanoic acid CAS Name: 4-[1-[(3-cyanophenyl)methyl]-3-pyrrolyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[1-[(3-cyanophenyl)methyl]pyrrol-3-yl]-2,4-dioxobutanoic acid Traditional Name: 4-[1-(3-cyanobenzyl)pyrrol-3-yl]-2,4-diketo-butyric acid Formula: C16H12N2O4 MolecularWeight: 296.27748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=CC(=C2)C(=O)CC(=O)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CC(=C2)C(=O)CC(=O)C(=O)O)C#N

InChI

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