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

Systemtic Name: (6Z)-4-bromanyl-2-nitro-6-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-bromo-2-nitro-6-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-bromo-2-nitro-6-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-bromo-2-nitro-6-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-bromo-2-nitro-6-[[(3,5,7-trimethyl-1-adamantyl)methylamino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H27BrN2O3 MolecularWeight: 435.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)CNC=C4C=C(C=C(C4=O)[N+](=O)[O-])Br)C)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)CN/C=C\4/C=C(C=C(C4=O)[N+](=O)[O-])Br)C)C

InChI

InChI=1S/C21H27BrN2O3/c1-18-7-19(2)9-20(3,8-18)12-21(10-18,11-19)13-23-6-14-4-15(22)5-16(17(14)25)24(26)27/h4-6,23H,7-13H2,1-3H3/b14-6-