N-(2-methyl-3-nitro-phenyl)-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanamide Openeye Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C19H24N2O4/c1-12-15(3-2-4-16(12)21(24)25)20-17(22)10-18-6-13-5-14(7-18)9-19(23,8-13)11-18/h2-4,13-14,23H,5-11H2,1H3,(H,20,22)/t13-,14+,18?,19?