(E)-4-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-4-keto-but-2-enoic acid Formula: C14H12BrN3O3 MolecularWeight: 350.16738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)C=CC(=O)O)Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)/C=C/C(=O)O)Br

InChI

InChI=1S/C14H12BrN3O3/c1-18-8-11(15)14(17-18)9-3-2-4-10(7-9)16-12(19)5-6-13(20)21/h2-8H,1H3,(H,16,19)(H,20,21)/b6-5+