5-[(3-methyl-4-nitro-phenoxy)methyl]-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]furan-2-carboxamide

Systemtic Name: 5-[(3-methyl-4-nitro-phenoxy)methyl]-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]furan-2-carboxamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-5-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-carboxamide CAS Name: 5-[(3-methyl-4-nitrophenoxy)methyl]-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-2-furancarboxamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-5-[(3-methyl-4-nitro-phenoxy)methyl]-2-furamide Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)NC3=NN(C=N3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)NC3=NN(C=N3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O5/c1-15-11-17(7-9-19(15)27(29)30)31-13-18-8-10-20(32-18)21(28)24-22-23-14-26(25-22)12-16-5-3-2-4-6-16/h2-11,14H,12-13H2,1H3,(H,24,25,28)