2-[2-bromanyl-6-methoxy-4-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]-N-phenyl-ethanamide

Systemtic Name: 2-[2-bromanyl-6-methoxy-4-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[2-bromo-6-methoxy-4-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]methyl]phenoxy]-N-phenyl-acetamide CAS Name: 2-[2-bromo-6-methoxy-4-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]methyl]phenoxy]-N-phenylacetamide IUPAC Name: 2-[2-bromo-6-methoxy-4-[(E)-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]-N-phenylacetamide Traditional Name: 2-[2-bromo-4-[(E)-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]methyl]-6-methoxy-phenoxy]-N-phenyl-acetamide Formula: C26H21BrN4O6 MolecularWeight: 565.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Br)OCC(=O)NC3=CC=CC=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)Br)OCC(=O)NC3=CC=CC=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21BrN4O6/c1-16-21(26(33)30(29-16)19-8-10-20(11-9-19)31(34)35)12-17-13-22(27)25(23(14-17)36-2)37-15-24(32)28-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,28,32)/b21-12+