N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-methyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-methyl-2-nitro-phenoxy)ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-methyl-2-nitro-phenoxy)acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-methyl-2-nitro-phenoxy)acetamide Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O4/c1-13-3-4-19(18(5-13)23(25)26)27-12-20(24)22-14(2)21-9-15-6-16(10-21)8-17(7-15)11-21/h3-5,14-17H,6-12H2,1-2H3,(H,22,24)/t14-,15?,16?,17?,21?/m1/s1