ethyl 4-[(4E)-4-[(4-bromanyl-3-nitro-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[(4E)-4-[(4-bromanyl-3-nitro-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[(4E)-4-[(4-bromo-3-nitro-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4E)-4-[(4-bromo-3-nitrophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4E)-4-[(4-bromo-3-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4E)-4-(4-bromo-3-nitro-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C20H16BrN3O5 MolecularWeight: 458.26214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)Br)[N+](=O)[O-])C(=N2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)Br)[N+](=O)[O-])/C(=N2)C

InChI

InChI=1S/C20H16BrN3O5/c1-3-29-20(26)14-5-7-15(8-6-14)23-19(25)16(12(2)22-23)10-13-4-9-17(21)18(11-13)24(27)28/h4-11H,3H2,1-2H3/b16-10+