3-[(4-oxidanyl-6-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 3-[(4-oxidanyl-6-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[(5-allyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)amino]benzoic acid IUPAC Name: 3-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[(5-allyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(N=C(NC1=O)NC2=CC=CC(=C2)C(=O)O)O

Isomeric SMILES

C=CCC1=C(N=C(NC1=O)NC2=CC=CC(=C2)C(=O)O)O

InChI

InChI=1S/C14H13N3O4/c1-2-4-10-11(18)16-14(17-12(10)19)15-9-6-3-5-8(7-9)13(20)21/h2-3,5-7H,1,4H2,(H,20,21)(H3,15,16,17,18,19)