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

Systemtic Name: (6Z)-2-(1-adamantyl)-6-[(cyclopentylamino)methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-2-(1-adamantyl)-6-[(cyclopentylamino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-2-(1-adamantyl)-6-[(cyclopentylamino)methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-2-(1-adamantyl)-6-[(cyclopentylamino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6Z)-2-(1-adamantyl)-6-[(cyclopentylamino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC=C2C=C(C=C(C2=O)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N/C=C\2/C=C(C=C(C2=O)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O3/c25-21-17(13-23-18-3-1-2-4-18)8-19(24(26)27)9-20(21)22-10-14-5-15(11-22)7-16(6-14)12-22/h8-9,13-16,18,23H,1-7,10-12H2/b17-13-