N-[3-(4-methylphenoxy)-5-nitro-phenyl]-4-(3-nitro-1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-[3-(4-methylphenoxy)-5-nitro-phenyl]-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Openeye Name: N-[3-(4-methylphenoxy)-5-nitro-phenyl]-4-(3-nitro-1,2,4-triazol-1-yl)butanamide CAS Name: N-[3-(4-methylphenoxy)-5-nitrophenyl]-4-(3-nitro-1,2,4-triazol-1-yl)butanamide IUPAC Name: N-[3-(4-methylphenoxy)-5-nitrophenyl]-4-(3-nitro-1,2,4-triazol-1-yl)butanamide Traditional Name: N-[3-(4-methylphenoxy)-5-nitro-phenyl]-4-(3-nitro-1,2,4-triazol-1-yl)butyramide Formula: C19H18N6O6 MolecularWeight: 426.38282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O6/c1-13-4-6-16(7-5-13)31-17-10-14(9-15(11-17)24(27)28)21-18(26)3-2-8-23-12-20-19(22-23)25(29)30/h4-7,9-12H,2-3,8H2,1H3,(H,21,26)