N-[1-(1-adamantyl)ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-methyl-3-nitro-benzamide Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-12-3-4-17(8-18(12)22(24)25)19(23)21-13(2)20-9-14-5-15(10-20)7-16(6-14)11-20/h3-4,8,13-16H,5-7,9-11H2,1-2H3,(H,21,23)