N-(4-methyl-3-nitro-phenyl)-3-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-(4-methyl-3-nitrophenyl)-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-3-(1,2,4-triazol-1-yl)propionamide Formula: C12H13N5O3 MolecularWeight: 275.26332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3/c1-9-2-3-10(6-11(9)17(19)20)15-12(18)4-5-16-8-13-7-14-16/h2-3,6-8H,4-5H2,1H3,(H,15,18)