4-(2-bromanyl-4-tert-butyl-phenoxy)-N'-[(Z)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]butanehydrazide

Systemtic Name: 4-(2-bromanyl-4-tert-butyl-phenoxy)-N'-[(Z)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]butanehydrazide Openeye Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N'-[(Z)-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]butanehydrazide CAS Name: 4-(2-bromo-4-tert-butylphenoxy)-N'-[(Z)-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]butanehydrazide IUPAC Name: 4-(2-bromo-4-tert-butylphenoxy)-N'-[(Z)-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]butanehydrazide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N'-[(Z)-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]butyrohydrazide Formula: C21H24BrN3O5 MolecularWeight: 478.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C21H24BrN3O5/c1-21(2,3)15-7-9-19(16(22)12-15)30-10-4-5-20(27)24-23-13-14-6-8-18(26)17(11-14)25(28)29/h6-9,11-13,23H,4-5,10H2,1-3H3,(H,24,27)/b14-13-