N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(2-methylpropanoylamino)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(isobutyrylamino)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C15H18N6O4 MolecularWeight: 346.34122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O4/c1-10(2)14(22)17-5-6-18-15(23)11-3-4-12(13(7-11)21(24)25)20-9-16-8-19-20/h3-4,7-10H,5-6H2,1-2H3,(H,17,22)(H,18,23)