6-[[[(1R)-1-(1-adamantyl)ethyl]amino]methylidene]-2-bromanyl-4-nitro-cyclohexa-2,4-dien-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H23BrN2O3/c1-11(19-7-12-2-13(8-19)4-14(3-12)9-19)21-10-15-5-16(22(24)25)6-17(20)18(15)23/h5-6,10-14,21H,2-4,7-9H2,1H3/t11-,12?,13?,14?,19?/m1/s1