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

Systemtic Name: N-(1-adamantyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(1-adamantyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(1-adamantyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(1-adamantyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(1-adamantyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c25-18(22-19-7-12-3-13(8-19)5-14(4-12)9-19)15-1-2-16(17(6-15)24(26)27)23-11-20-10-21-23/h1-2,6,10-14H,3-5,7-9H2,(H,22,25)