(3R,5S)-3,5-dimethyl-N-[(Z)-(4-nitrophenyl)methylideneamino]adamantane-1-carboxamide

Systemtic Name: (3R,5S)-3,5-dimethyl-N-[(Z)-(4-nitrophenyl)methylideneamino]adamantane-1-carboxamide Openeye Name: (3R,5S)-3,5-dimethyl-N-[(Z)-(4-nitrophenyl)methyleneamino]adamantane-1-carboxamide CAS Name: (3R,5S)-3,5-dimethyl-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-adamantanecarboxamide IUPAC Name: (3R,5S)-3,5-dimethyl-N-[(Z)-(4-nitrophenyl)methylideneamino]adamantane-1-carboxamide Traditional Name: (3R,5S)-3,5-dimethyl-N-[(Z)-(4-nitrobenzylidene)amino]adamantane-1-carboxamide Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NN=CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N/N=C\C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O3/c1-18-7-15-8-19(2,11-18)13-20(9-15,12-18)17(24)22-21-10-14-3-5-16(6-4-14)23(25)26/h3-6,10,15H,7-9,11-13H2,1-2H3,(H,22,24)/b21-10-/t15?,18-,19+,20?