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

Systemtic Name: N-(1-adamantyl)-5-ethoxy-N-ethyl-4-methoxy-2-nitro-benzamide Openeye Name: N-(1-adamantyl)-5-ethoxy-N-ethyl-4-methoxy-2-nitro-benzamide CAS Name: N-(1-adamantyl)-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide IUPAC Name: N-(1-adamantyl)-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide Traditional Name: N-(1-adamantyl)-5-ethoxy-N-ethyl-4-methoxy-2-nitro-benzamide Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-4-23(22-11-14-6-15(12-22)8-16(7-14)13-22)21(25)17-9-20(29-5-2)19(28-3)10-18(17)24(26)27/h9-10,14-16H,4-8,11-13H2,1-3H3