5-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[(4Z)-4-[(3-bromophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 5-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-2-chlorobenzoic acid IUPAC Name: 5-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 5-[(4Z)-4-(3-bromobenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]-2-chloro-benzoic acid Formula: C18H12BrClN2O3 MolecularWeight: 419.65648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=CC=C2)Br)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=CC=C2)Br)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H12BrClN2O3/c1-10-14(8-11-3-2-4-12(19)7-11)17(23)22(21-10)13-5-6-16(20)15(9-13)18(24)25/h2-9H,1H3,(H,24,25)/b14-8-