N-[(1R)-1-(1-adamantyl)ethyl]-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-methyl-3,5-dinitro-benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-methyl-3,5-dinitro-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-methyl-3,5-dinitro-benzamide Formula: C20H25N3O5 MolecularWeight: 387.4296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5/c1-11-17(22(25)26)6-16(7-18(11)23(27)28)19(24)21-12(2)20-8-13-3-14(9-20)5-15(4-13)10-20/h6-7,12-15H,3-5,8-10H2,1-2H3,(H,21,24)/t12-,13?,14?,15?,20?/m1/s1