N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(3-nitrophenyl)amino]ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(3-nitroanilino)acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(3-nitroanilino)acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(3-nitroanilino)acetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(3-nitroanilino)acetamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)CNC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)CNC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c22-5-2-6-24(21-11-15-7-16(12-21)9-17(8-15)13-21)20(26)14-23-18-3-1-4-19(10-18)25(27)28/h1,3-4,10,15-17,23H,2,6-9,11-14H2