(6Z)-2-bromanyl-6-[[(3,5-dimethyl-1-adamantyl)methylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-2-bromanyl-6-[[(3,5-dimethyl-1-adamantyl)methylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-2-bromo-6-[[(3,5-dimethyl-1-adamantyl)methylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-2-bromo-6-[[(3,5-dimethyl-1-adamantyl)methylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-2-bromo-6-[[(3,5-dimethyl-1-adamantyl)methylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6Z)-2-bromo-6-[[(3,5-dimethyl-1-adamantyl)methylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C20H25BrN2O3 MolecularWeight: 421.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CNC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-])C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CN/C=C\4/C=C(C=C(C4=O)Br)[N+](=O)[O-])C

InChI

InChI=1S/C20H25BrN2O3/c1-18-5-13-6-19(2,9-18)11-20(7-13,10-18)12-22-8-14-3-15(23(25)26)4-16(21)17(14)24/h3-4,8,13,22H,5-7,9-12H2,1-2H3/b14-8-