(E)-3-[2-[(4-bromophenyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[(4-bromophenyl)amino]pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(4-bromoanilino)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(4-bromoanilino)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(4-bromoanilino)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(4-bromoanilino)pyrimidin-5-yl]acrylic acid Formula: C13H10BrN3O2 MolecularWeight: 320.1414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C=N2)C=CC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C=N2)/C=C/C(=O)O)Br

InChI

InChI=1S/C13H10BrN3O2/c14-10-2-4-11(5-3-10)17-13-15-7-9(8-16-13)1-6-12(18)19/h1-8H,(H,18,19)(H,15,16,17)/b6-1+