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

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-4-nitro-benzamide Formula: C16H12ClN5O3 MolecularWeight: 357.75118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN5O3/c1-10-6-11(2-4-14(10)22(24)25)16(23)20-13-7-12(17)3-5-15(13)21-9-18-8-19-21/h2-9H,1H3,(H,20,23)