5-[4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[4-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-2-chloro-benzoic acid CAS Name: 5-[4-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-2-chlorobenzoic acid IUPAC Name: 5-[4-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-2-chlorobenzoic acid Traditional Name: 5-[4-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]-2-chloro-benzoic acid Formula: C19H14BrClN2O5 MolecularWeight: 465.68186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)O)C=C3C=C(C(=O)C(=C3)Br)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)C(=O)O)C=C3C=C(C(=O)C(=C3)Br)OC

InChI

InChI=1S/C19H14BrClN2O5/c1-9-12(5-10-6-14(20)17(24)16(7-10)28-2)18(25)23(22-9)11-3-4-15(21)13(8-11)19(26)27/h3-8,22H,1-2H3,(H,26,27)