N-[4-(1-adamantyl)phenyl]-2,4-dinitro-aniline

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2,4-dinitro-aniline Openeye Name: N-[4-(1-adamantyl)phenyl]-2,4-dinitro-aniline CAS Name: N-[4-(1-adamantyl)phenyl]-2,4-dinitroaniline IUPAC Name: N-[4-(1-adamantyl)phenyl]-2,4-dinitroaniline Traditional Name: [4-(1-adamantyl)phenyl]-(2,4-dinitrophenyl)amine Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c26-24(27)19-5-6-20(21(10-19)25(28)29)23-18-3-1-17(2-4-18)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16,23H,7-9,11-13H2