(6E)-6-[(1-adamantylamino)methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[(1-adamantylamino)methylidene]-2-nitro-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[(1-adamantylamino)methylene]-4-benzyl-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[(1-adamantylamino)methylidene]-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[(1-adamantylamino)methylidene]-4-benzyl-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[(1-adamantylamino)methylene]-4-benzyl-2-nitro-cyclohexa-2,4-dien-1-one Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N/C=C/4\C=C(C=C(C4=O)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C24H26N2O3/c27-23-21(15-25-24-12-18-7-19(13-24)9-20(8-18)14-24)10-17(11-22(23)26(28)29)6-16-4-2-1-3-5-16/h1-5,10-11,15,18-20,25H,6-9,12-14H2/b21-15+