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

Systemtic Name: N-(2-methylbutan-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(1,1-dimethylpropyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(2-methylbutan-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(2-methylbutan-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-tert-amyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O3/c1-4-14(2,3)17-13(20)10-5-6-11(12(7-10)19(21)22)18-9-15-8-16-18/h5-9H,4H2,1-3H3,(H,17,20)