1-[3-(furan-2-yl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[3-(furan-2-yl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[3-(2-furyl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[3-(2-furanyl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[3-(furan-2-yl)-5-[(3-nitrophenyl)methylamino]-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[3-(2-furyl)-5-[(3-nitrobenzyl)amino]-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O5/c27-19(14-31-17-8-2-1-3-9-17)25-21(23-20(24-25)18-10-5-11-30-18)22-13-15-6-4-7-16(12-15)26(28)29/h1-12H,13-14H2,(H,22,23,24)