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

Systemtic Name: (6Z)-2-bromanyl-6-[[[3-(4-methylphenyl)-1-adamantyl]methylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-2-bromo-4-nitro-6-[[[3-(p-tolyl)-1-adamantyl]methylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-2-bromo-6-[[[3-(4-methylphenyl)-1-adamantyl]methylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-2-bromo-6-[[[3-(4-methylphenyl)-1-adamantyl]methylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6Z)-2-bromo-4-nitro-6-[[[3-(p-tolyl)-1-adamantyl]methylamino]methylene]cyclohexa-2,4-dien-1-one Formula: C25H27BrN2O3 MolecularWeight: 483.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC=C5C=C(C=C(C5=O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN/C=C\5/C=C(C=C(C5=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C25H27BrN2O3/c1-16-2-4-20(5-3-16)25-11-17-6-18(12-25)10-24(9-17,14-25)15-27-13-19-7-21(28(30)31)8-22(26)23(19)29/h2-5,7-8,13,17-18,27H,6,9-12,14-15H2,1H3/b19-13-