1-(1-adamantyl)-5-(3,5-dinitrophenyl)-1,2,4-triazol-3-amine

Systemtic Name: 1-(1-adamantyl)-5-(3,5-dinitrophenyl)-1,2,4-triazol-3-amine Openeye Name: 1-(1-adamantyl)-5-(3,5-dinitrophenyl)-1,2,4-triazol-3-amine CAS Name: 1-(1-adamantyl)-5-(3,5-dinitrophenyl)-1,2,4-triazol-3-amine IUPAC Name: 1-(1-adamantyl)-5-(3,5-dinitrophenyl)-1,2,4-triazol-3-amine Traditional Name: [1-(1-adamantyl)-5-(3,5-dinitrophenyl)-1,2,4-triazol-3-yl]amine Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=NC(=N4)N)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=NC(=N4)N)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4/c19-17-20-16(13-4-14(23(25)26)6-15(5-13)24(27)28)22(21-17)18-7-10-1-11(8-18)3-12(2-10)9-18/h4-6,10-12H,1-3,7-9H2,(H2,19,21)