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

Systemtic Name: 2-bromanyl-6-[[(3-methyl-1-adamantyl)methylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 2-bromo-6-[[(3-methyl-1-adamantyl)methylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-6-[[(3-methyl-1-adamantyl)methylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 2-bromo-6-[[(3-methyl-1-adamantyl)methylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 2-bromo-6-[[(3-methyl-1-adamantyl)methylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C19H23BrN2O3 MolecularWeight: 407.30152

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O3/c1-18-5-12-2-13(6-18)8-19(7-12,10-18)11-21-9-14-3-15(22(24)25)4-16(20)17(14)23/h3-4,9,12-13,21H,2,5-8,10-11H2,1H3