N-[4-(1-adamantyl)phenyl]-5-nitro-pyridin-2-amine

Systemtic Name: N-[4-(1-adamantyl)phenyl]-5-nitro-pyridin-2-amine Openeye Name: N-[4-(1-adamantyl)phenyl]-5-nitro-pyridin-2-amine CAS Name: N-[4-(1-adamantyl)phenyl]-5-nitro-2-pyridinamine IUPAC Name: N-[4-(1-adamantyl)phenyl]-5-nitropyridin-2-amine Traditional Name: [4-(1-adamantyl)phenyl]-(5-nitro-2-pyridyl)amine Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC5=NC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC5=NC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O2/c25-24(26)19-5-6-20(22-13-19)23-18-3-1-17(2-4-18)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-6,13-16H,7-12H2,(H,22,23)