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

Systemtic Name: 3-nitro-N-(1-phenylcyclobutyl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-(1-phenylcyclobutyl)-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-(1-phenylcyclobutyl)-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-(1-phenylcyclobutyl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-(1-phenylcyclobutyl)-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H17N5O3 MolecularWeight: 363.36998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)(C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O3/c25-18(22-19(9-4-10-19)15-5-2-1-3-6-15)14-7-8-16(17(11-14)24(26)27)23-13-20-12-21-23/h1-3,5-8,11-13H,4,9-10H2,(H,22,25)