N'-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]adamantane-1-carbohydrazide Openeye Name: N'-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]adamantane-1-carbohydrazide CAS Name: N'-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]adamantane-1-carbohydrazide Traditional Name: N'-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]adamantane-1-carbohydrazide Formula: C18H20BrN3O4 MolecularWeight: 422.2731

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NNC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NNC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H20BrN3O4/c19-15-5-14(22(25)26)4-13(16(15)23)9-20-21-17(24)18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,9-12,20H,1-3,6-8H2,(H,21,24)