3-nitro-N-[2-oxidanylidene-2-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]amino]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]amino]ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]amino]ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]amino]ethyl]benzamide Traditional Name: N-[2-keto-2-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]amino]ethyl]-3-nitro-benzamide Formula: C16H13N7O4 MolecularWeight: 367.31892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N7O4/c24-15(8-19-16(25)11-2-1-3-13(6-11)23(26)27)21-12-4-5-14(18-7-12)22-10-17-9-20-22/h1-7,9-10H,8H2,(H,19,25)(H,21,24)