6-[[[(5S,7R)-3-chloranyl-1-adamantyl]methylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(5S,7R)-3-chloranyl-1-adamantyl]methylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(5S,7R)-3-chloro-1-adamantyl]methylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(5S,7R)-3-chloro-1-adamantyl]methylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(5S,7R)-3-chloro-1-adamantyl]methylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(5S,7R)-3-chloro-1-adamantyl]methylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)CNC=C4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)CNC=C4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN2O3/c19-18-7-12-3-13(8-18)6-17(5-12,10-18)11-20-9-14-4-15(21(23)24)1-2-16(14)22/h1-2,4,9,12-13,20H,3,5-8,10-11H2/t12-,13+,17?,18?