benzo[e][1]benzofuran-2-yl-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanone

Systemtic Name: benzo[e][1]benzofuran-2-yl-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanone Openeye Name: benzo[e]benzofuran-2-yl-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanone CAS Name: 2-benzo[e]benzofuranyl-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanone IUPAC Name: benzo[e][1]benzofuran-2-yl-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanone Traditional Name: benzo[e]benzofuran-2-yl-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]methanone Formula: C21H12N4O4 MolecularWeight: 384.34438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)C4=NC(=NN4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C(=O)C4=NC(=NN4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O4/c26-19(18-11-16-15-4-2-1-3-12(15)7-10-17(16)29-18)21-22-20(23-24-21)13-5-8-14(9-6-13)25(27)28/h1-11H,(H,22,23,24)