(5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)adamantane-1-carboxylate Openeye Name: (5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(4-methyl-3,5-dinitrophenyl)-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-(4-methyl-3,5-dinitrophenyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)adamantane-1-carboxylate Formula: C18H19N2O6- MolecularWeight: 359.35326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-10-14(19(23)24)3-13(4-15(10)20(25)26)17-5-11-2-12(6-17)8-18(7-11,9-17)16(21)22/h3-4,11-12H,2,5-9H2,1H3,(H,21,22)/p-1/t11-,12+,17?,18?