N-[4-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]phenyl]-2-nitro-benzamide

Systemtic Name: N-[4-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]phenyl]-2-nitro-benzamide Openeye Name: N-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-2-nitro-benzamide CAS Name: N-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-2-nitrobenzamide IUPAC Name: N-[4-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-2-nitrobenzamide Traditional Name: N-[4-(4,6-diamino-s-triazin-2-yl)phenyl]-2-nitro-benzamide Formula: C16H13N7O3 MolecularWeight: 351.31952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC(=N3)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC(=N3)N)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O3/c17-15-20-13(21-16(18)22-15)9-5-7-10(8-6-9)19-14(24)11-3-1-2-4-12(11)23(25)26/h1-8H,(H,19,24)(H4,17,18,20,21,22)