(1R,3S)-5-(4-aminophenyl)-7-(4-nitrophenyl)adamantan-2-one

Systemtic Name: (1R,3S)-5-(4-aminophenyl)-7-(4-nitrophenyl)adamantan-2-one Openeye Name: (1R,3S)-5-(4-aminophenyl)-7-(4-nitrophenyl)adamantan-2-one CAS Name: (1R,3S)-5-(4-aminophenyl)-7-(4-nitrophenyl)-2-adamantanone IUPAC Name: (1R,3S)-5-(4-aminophenyl)-7-(4-nitrophenyl)adamantan-2-one Traditional Name: (1R,3S)-5-(4-aminophenyl)-7-(4-nitrophenyl)adamantan-2-one Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC(C2=O)CC1(C3)C4=CC=C(C=C4)N)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2=O)CC1(C3)C4=CC=C(C=C4)N)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O3/c23-18-5-1-16(2-6-18)21-9-14-11-22(13-21,12-15(10-21)20(14)25)17-3-7-19(8-4-17)24(26)27/h1-8,14-15H,9-13,23H2/t14-,15+,21?,22?