(5S,7R)-3-acetamido-N-(4-methyl-3-nitro-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-(4-methyl-3-nitro-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(4-methyl-3-nitro-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-(4-methyl-3-nitrophenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(4-methyl-3-nitrophenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(4-methyl-3-nitro-phenyl)adamantane-1-carboxamide Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-12-3-4-16(6-17(12)23(26)27)21-18(25)19-7-14-5-15(8-19)10-20(9-14,11-19)22-13(2)24/h3-4,6,14-15H,5,7-11H2,1-2H3,(H,21,25)(H,22,24)/t14-,15+,19?,20?