4-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[(2E)-2-(nitromethylene)-4,5-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[(2E)-2-(nitromethylidene)-4,5-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[(2E)-2-(nitromethylene)-4,5-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=C[N+](=O)[O-])N=C1)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CN(/C(=C\[N+](=O)[O-])/N=C1)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13N3O4/c17-13(18)11-4-2-10(3-5-11)8-15-7-1-6-14-12(15)9-16(19)20/h2-6,9H,1,7-8H2,(H,17,18)/b12-9-