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

Systemtic Name: N-(5-azanyl-1-phenyl-1,2,4-triazol-3-yl)-4-chloranyl-3-nitro-benzamide Openeye Name: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chloro-3-nitro-benzamide CAS Name: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chloro-3-nitrobenzamide IUPAC Name: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chloro-3-nitrobenzamide Traditional Name: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-chloro-3-nitro-benzamide Formula: C15H11ClN6O3 MolecularWeight: 358.73924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C15H11ClN6O3/c16-11-7-6-9(8-12(11)22(24)25)13(23)18-15-19-14(17)21(20-15)10-4-2-1-3-5-10/h1-8H,(H3,17,18,19,20,23)