methyl 3-[(3E)-3-[(4-bromanyl-2-nitro-phenyl)hydrazinylidene]-2-tert-butyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: methyl 3-[(3E)-3-[(4-bromanyl-2-nitro-phenyl)hydrazinylidene]-2-tert-butyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: methyl 3-[(3E)-3-[(4-bromo-2-nitro-phenyl)hydrazono]-2-tert-butyl-4-oxo-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[(3E)-3-[(4-bromo-2-nitrophenyl)hydrazinylidene]-2-tert-butyl-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3E)-3-[(4-bromo-2-nitrophenyl)hydrazinylidene]-2-tert-butyl-4-oxocyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 3-[(3E)-3-[(4-bromo-2-nitro-phenyl)hydrazono]-2-tert-butyl-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid methyl ester Formula: C20H22BrN3O5 MolecularWeight: 464.30978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=O)C1=NNC2=C(C=C(C=C2)Br)[N+](=O)[O-])CCC(=O)OC

Isomeric SMILES

CC(C)(C)C\1=C(C=CC(=O)/C1=N/NC2=C(C=C(C=C2)Br)[N+](=O)[O-])CCC(=O)OC

InChI

InChI=1S/C20H22BrN3O5/c1-20(2,3)18-12(6-10-17(26)29-4)5-9-16(25)19(18)23-22-14-8-7-13(21)11-15(14)24(27)28/h5,7-9,11,22H,6,10H2,1-4H3/b23-19-