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

Systemtic Name: 2-[[(5S,7R)-3-chloranyl-1-adamantyl]methyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(5S,7R)-3-chloro-1-adamantyl]methyliminomethyl]-4-nitro-phenolate CAS Name: 2-[[(5S,7R)-3-chloro-1-adamantyl]methyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(5S,7R)-3-chloro-1-adamantyl]methyliminomethyl]-4-nitrophenolate Traditional Name: 2-[[(5S,7R)-3-chloro-1-adamantyl]methyliminomethyl]-4-nitro-phenolate Formula: C18H20ClN2O3- MolecularWeight: 347.816

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)CN=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)CN=CC4=C(C=CC(=C4)[N+](=O)[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/h1-2,4,9,12-13,22H,3,5-8,10-11H2/p-1/t12-,13+,17?,18?