3-(3-nitro-1,2,4-triazol-1-yl)-N-(1,2-oxazol-3-yl)adamantane-1-carboxamide

Systemtic Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(1,2-oxazol-3-yl)adamantane-1-carboxamide Openeye Name: N-isoxazol-3-yl-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(3-isoxazolyl)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: 3-(3-nitro-1,2,4-triazol-1-yl)-N-(1,2-oxazol-3-yl)adamantane-1-carboxamide Traditional Name: N-isoxazol-3-yl-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=NOC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=NOC=C5

InChI

InChI=1S/C16H18N6O4/c23-13(18-12-1-2-26-20-12)15-4-10-3-11(5-15)7-16(6-10,8-15)21-9-17-14(19-21)22(24)25/h1-2,9-11H,3-8H2,(H,18,20,23)