N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[4-(2-furylmethylcarbamoylamino)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[4-[[(2-furanylmethylamino)-oxomethyl]amino]phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[4-(2-furfurylcarbamoylamino)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H17N7O5 MolecularWeight: 447.40358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N7O5/c29-20(14-3-8-18(19(10-14)28(31)32)27-13-22-12-24-27)25-15-4-6-16(7-5-15)26-21(30)23-11-17-2-1-9-33-17/h1-10,12-13H,11H2,(H,25,29)(H2,23,26,30)