N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C17H14ClN5O5 MolecularWeight: 403.77656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C17H14ClN5O5/c1-27-15-7-12(16(28-2)6-11(15)18)21-17(24)10-3-4-13(14(5-10)23(25)26)22-9-19-8-20-22/h3-9H,1-2H3,(H,21,24)