4-[(5R,7S)-3-methyl-1-adamantyl]-2-nitro-phenolate

Systemtic Name: 4-[(5R,7S)-3-methyl-1-adamantyl]-2-nitro-phenolate Openeye Name: 4-[(5R,7S)-3-methyl-1-adamantyl]-2-nitro-phenolate CAS Name: 4-[(5R,7S)-3-methyl-1-adamantyl]-2-nitrophenolate IUPAC Name: 4-[(5R,7S)-3-methyl-1-adamantyl]-2-nitrophenolate Traditional Name: 4-[(5R,7S)-3-methyl-1-adamantyl]-2-nitro-phenolate Formula: C17H20NO3- MolecularWeight: 286.3456

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

Isomeric SMILES

CC12C[C@H]3C[C@@H](C1)CC(C3)(C2)C4=CC(=C(C=C4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H21NO3/c1-16-6-11-4-12(7-16)9-17(8-11,10-16)13-2-3-15(19)14(5-13)18(20)21/h2-3,5,11-12,19H,4,6-10H2,1H3/p-1/t11-,12+,16?,17?