4-bromanyl-6-[[[(5S,7R)-3-methyl-1-adamantyl]methylamino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[[[(5S,7R)-3-methyl-1-adamantyl]methylamino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-bromo-6-[[[(5S,7R)-3-methyl-1-adamantyl]methylamino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[[[(5S,7R)-3-methyl-1-adamantyl]methylamino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-bromo-6-[[[(5S,7R)-3-methyl-1-adamantyl]methylamino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-bromo-6-[[[(5S,7R)-3-methyl-1-adamantyl]methylamino]methylene]-2-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)[N+](=O)[O-])Br

Isomeric SMILES

CC12C[C@H]3C[C@@H](C1)CC(C3)(C2)CNC=C4C=C(C=C(C4=O)[N+](=O)[O-])Br

InChI

InChI=1S/C19H23BrN2O3/c1-18-5-12-2-13(6-18)8-19(7-12,10-18)11-21-9-14-3-15(20)4-16(17(14)23)22(24)25/h3-4,9,12-13,21H,2,5-8,10-11H2,1H3/t12-,13+,18?,19?