4-[(E)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(4-amino-2-oxo-pyrimidin-1-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(4-amino-2-oxo-1-pyrimidinyl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(4-amino-2-oxopyrimidin-1-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(4-amino-2-keto-pyrimidin-1-yl)vinyl]benzoic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CN2C=CC(=NC2=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/N2C=CC(=NC2=O)N)C(=O)O

InChI

InChI=1S/C13H11N3O3/c14-11-6-8-16(13(19)15-11)7-5-9-1-3-10(4-2-9)12(17)18/h1-8H,(H,17,18)(H2,14,15,19)/b7-5+