N-[2-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(1-adamantyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=CC(=C(C=C4)N5C=NC=N5)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3/c27-20(17-1-2-18(19(8-17)26(28)29)25-13-22-12-24-25)23-4-3-21-9-14-5-15(10-21)7-16(6-14)11-21/h1-2,8,12-16H,3-7,9-11H2,(H,23,27)