2-[[4-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-phenyl]methylidene]indene-1,3-dione

Systemtic Name: 2-[[4-[(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-phenyl]methylidene]indene-1,3-dione Openeye Name: 2-[[4-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-phenyl]methylene]indane-1,3-dione CAS Name: 2-[[4-[(4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methoxy]-3-methoxyphenyl]methylidene]indene-1,3-dione IUPAC Name: 2-[[4-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methylidene]indene-1,3-dione Traditional Name: 2-[4-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methoxy]-3-methoxy-benzylidene]indane-1,3-quinone Formula: C28H21BrN2O5 MolecularWeight: 545.38074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=C(C=C(C=C3)C=C4C(=O)C5=CC=CC=C5C4=O)OC

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=C(C=C(C=C3)C=C4C(=O)C5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C28H21BrN2O5/c1-30-22(25(29)28(34)31(30)18-8-4-3-5-9-18)16-36-23-13-12-17(15-24(23)35-2)14-21-26(32)19-10-6-7-11-20(19)27(21)33/h3-15H,16H2,1-2H3