(6Z)-2-(1-adamantyl)-6-[(cyclobutylamino)methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-2-(1-adamantyl)-6-[(cyclobutylamino)methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-2-(1-adamantyl)-6-[(cyclobutylamino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-2-(1-adamantyl)-6-[(cyclobutylamino)methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-2-(1-adamantyl)-6-[(cyclobutylamino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6Z)-2-(1-adamantyl)-6-[(cyclobutylamino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC=C2C=C(C=C(C2=O)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)N/C=C\2/C=C(C=C(C2=O)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O3/c24-20-16(12-22-17-2-1-3-17)7-18(23(25)26)8-19(20)21-9-13-4-14(10-21)6-15(5-13)11-21/h7-8,12-15,17,22H,1-6,9-11H2/b16-12-