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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-ethoxy-3-nitro-benzamide Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(C)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(C)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O4/c1-3-27-19-5-4-17(9-18(19)23(25)26)20(24)22-13(2)21-10-14-6-15(11-21)8-16(7-14)12-21/h4-5,9,13-16H,3,6-8,10-12H2,1-2H3,(H,22,24)