4-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]pyrrol-1-yl]benzoic acid Formula: C21H15N3O4 MolecularWeight: 373.3615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)C(=O)N2

InChI

InChI=1S/C21H15N3O4/c25-19-18(20(26)24(22-19)16-5-2-1-3-6-16)13-17-7-4-12-23(17)15-10-8-14(9-11-15)21(27)28/h1-13H,(H,22,25)(H,27,28)