N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-methoxyethylamino)-3-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=CC(=C(C=C4)NCCOC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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