N-[(5S,7R)-3-(2,4-dinitrophenyl)-1-adamantyl]ethanamide

Systemtic Name: N-[(5S,7R)-3-(2,4-dinitrophenyl)-1-adamantyl]ethanamide Openeye Name: N-[(5S,7R)-3-(2,4-dinitrophenyl)-1-adamantyl]acetamide CAS Name: N-[(5S,7R)-3-(2,4-dinitrophenyl)-1-adamantyl]acetamide IUPAC Name: N-[(5S,7R)-3-(2,4-dinitrophenyl)-1-adamantyl]acetamide Traditional Name: N-[(5S,7R)-3-(2,4-dinitrophenyl)-1-adamantyl]acetamide Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c1-11(22)19-18-8-12-4-13(9-18)7-17(6-12,10-18)15-3-2-14(20(23)24)5-16(15)21(25)26/h2-3,5,12-13H,4,6-10H2,1H3,(H,19,22)/t12-,13+,17?,18?