N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])NCCOC

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C22H31N3O4/c1-14(22-11-15-7-16(12-22)9-17(8-15)13-22)24-21(26)19-10-18(25(27)28)3-4-20(19)23-5-6-29-2/h3-4,10,14-17,23H,5-9,11-13H2,1-2H3,(H,24,26)/t14-,15?,16?,17?,22?/m1/s1