N-(2,5-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(2,5-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(2,5-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(2,5-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(2,5-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C17H15N5O3 MolecularWeight: 337.3327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3/c1-11-3-4-12(2)14(7-11)20-17(23)13-5-6-15(16(8-13)22(24)25)21-10-18-9-19-21/h3-10H,1-2H3,(H,20,23)