1-[(5-nitro-2,3-dihydro-1-benzofuran-2-yl)-phenyl-methyl]-1,2,4-triazole

Systemtic Name: 1-[(5-nitro-2,3-dihydro-1-benzofuran-2-yl)-phenyl-methyl]-1,2,4-triazole Openeye Name: 1-[(5-nitro-2,3-dihydrobenzofuran-2-yl)-phenyl-methyl]-1,2,4-triazole CAS Name: 1-[(5-nitro-2,3-dihydrobenzofuran-2-yl)-phenylmethyl]-1,2,4-triazole IUPAC Name: 1-[(5-nitro-2,3-dihydro-1-benzofuran-2-yl)-phenylmethyl]-1,2,4-triazole Traditional Name: 1-[(5-nitrocoumaran-2-yl)-phenyl-methyl]-1,2,4-triazole Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)N4C=NC=N4

Isomeric SMILES

C1C(OC2=C1C=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)N4C=NC=N4

InChI

InChI=1S/C17H14N4O3/c22-21(23)14-6-7-15-13(8-14)9-16(24-15)17(20-11-18-10-19-20)12-4-2-1-3-5-12/h1-8,10-11,16-17H,9H2