4-[6-(5-nitrofuran-2-yl)-4-(phenylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzoate

Systemtic Name: 4-[6-(5-nitrofuran-2-yl)-4-(phenylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzoate Openeye Name: 4-[4-benzyl-6-(5-nitro-2-furyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzoate CAS Name: 4-[6-(5-nitro-2-furanyl)-4-(phenylmethyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzoate IUPAC Name: 4-[4-benzyl-6-(5-nitrofuran-2-yl)-3,5-dihydro-1,2,4-triazin-2-yl]benzoate Traditional Name: 4-[4-benzyl-6-(5-nitro-2-furyl)-3,5-dihydro-1,2,4-triazin-2-yl]benzoate Formula: C21H17N4O5- MolecularWeight: 405.38348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(CN1CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1C(=NN(CN1CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5/c26-21(27)16-6-8-17(9-7-16)24-14-23(12-15-4-2-1-3-5-15)13-18(22-24)19-10-11-20(30-19)25(28)29/h1-11H,12-14H2,(H,26,27)/p-1