N-(3,3-dimethyl-1-phenyl-butyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(3,3-dimethyl-1-phenylbutyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(3,3-dimethyl-1-phenylbutyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-21(2,3)12-17(15-7-5-4-6-8-15)24-20(27)16-9-10-18(19(11-16)26(28)29)25-14-22-13-23-25/h4-11,13-14,17H,12H2,1-3H3,(H,24,27)