4-[2-[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]hydrazinyl]benzoic acid

Systemtic Name: 4-[2-[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]hydrazinyl]benzoic acid Openeye Name: 4-[2-(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)hydrazino]benzoic acid CAS Name: 4-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]hydrazo]benzoic acid IUPAC Name: 4-[2-(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)hydrazinyl]benzoic acid Traditional Name: 4-[N'-(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)hydrazino]benzoic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)NNC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)NNC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C18H16N4O4/c23-15-14(10-11-4-2-1-3-5-11)16(24)20-18(19-15)22-21-13-8-6-12(7-9-13)17(25)26/h1-9,21H,10H2,(H,25,26)(H3,19,20,22,23,24)