N-[(5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)-1-adamantyl]ethanamide

Systemtic Name: N-[(5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)-1-adamantyl]ethanamide Openeye Name: N-[(5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)-1-adamantyl]acetamide CAS Name: N-[(5S,7R)-3-(4-methyl-3,5-dinitrophenyl)-1-adamantyl]acetamide IUPAC Name: N-[(5S,7R)-3-(4-methyl-3,5-dinitrophenyl)-1-adamantyl]acetamide Traditional Name: N-[(5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)-1-adamantyl]acetamide Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5/c1-11-16(21(24)25)4-15(5-17(11)22(26)27)18-6-13-3-14(7-18)9-19(8-13,10-18)20-12(2)23/h4-5,13-14H,3,6-10H2,1-2H3,(H,20,23)/t13-,14+,18?,19?