N-(2-chloranyl-4,6-dimethyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C17H14ClN5O3 MolecularWeight: 371.77776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O3/c1-10-5-11(2)16(13(18)6-10)21-17(24)12-3-4-14(15(7-12)23(25)26)22-9-19-8-20-22/h3-9H,1-2H3,(H,21,24)