N-(1-adamantyl)-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-(1-adamantyl)-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-(1-adamantyl)-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C20H26N2O5/c1-3-27-18-8-16(22(24)25)15(7-17(18)26-2)19(23)21-20-9-12-4-13(10-20)6-14(5-12)11-20/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,21,23)