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

Systemtic Name: 2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyliminomethyl]-4-nitro-phenolate Openeye Name: 4-nitro-2-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methyliminomethyl]phenolate CAS Name: 2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyliminomethyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methyliminomethyl]phenolate Formula: C25H27N2O3- MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CN=CC5=C(C=CC(=C5)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)CN=CC5=C(C=CC(=C5)[N+](=O)[O-])[O-]

InChI

InChI=1S/C25H28N2O3/c1-17-2-4-21(5-3-17)25-12-18-8-19(13-25)11-24(10-18,15-25)16-26-14-20-9-22(27(29)30)6-7-23(20)28/h2-7,9,14,18-19,28H,8,10-13,15-16H2,1H3/p-1/t18-,19+,24?,25?