N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[[3-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[3-(cyclobutanecarbonylamino)benzyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H20N6O4 MolecularWeight: 420.4213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O4/c28-20(16-7-8-18(19(10-16)27(30)31)26-13-22-12-24-26)23-11-14-3-1-6-17(9-14)25-21(29)15-4-2-5-15/h1,3,6-10,12-13,15H,2,4-5,11H2,(H,23,28)(H,25,29)