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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-4-29-20-9-18(24(26)27)17(8-19(20)28-3)21(25)23-13(2)22-10-14-5-15(11-22)7-16(6-14)12-22/h8-9,13-16H,4-7,10-12H2,1-3H3,(H,23,25)