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

Systemtic Name: N-(5-azanyl-1-phenyl-1,2,4-triazol-3-yl)-3-nitro-benzamide Openeye Name: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-nitro-benzamide CAS Name: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide IUPAC Name: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide Traditional Name: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-nitro-benzamide Formula: C15H12N6O3 MolecularWeight: 324.29418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N6O3/c16-14-18-15(19-20(14)11-6-2-1-3-7-11)17-13(22)10-5-4-8-12(9-10)21(23)24/h1-9H,(H3,16,17,18,19,22)