5-(1-adamantyl)-3-nitro-2-oxidanyl-benzaldehyde

Systemtic Name: 5-(1-adamantyl)-3-nitro-2-oxidanyl-benzaldehyde Openeye Name: 5-(1-adamantyl)-2-hydroxy-3-nitro-benzaldehyde CAS Name: 5-(1-adamantyl)-2-hydroxy-3-nitrobenzaldehyde IUPAC Name: 5-(1-adamantyl)-2-hydroxy-3-nitrobenzaldehyde Traditional Name: 5-(1-adamantyl)-2-hydroxy-3-nitro-benzaldehyde Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)C=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)C=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO4/c19-9-13-4-14(5-15(16(13)20)18(21)22)17-6-10-1-11(7-17)3-12(2-10)8-17/h4-5,9-12,20H,1-3,6-8H2