6-chloranyl-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one

Systemtic Name: 6-chloranyl-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one Openeye Name: 6-chloro-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one CAS Name: 6-chloro-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-1-benzopyran-2-one IUPAC Name: 6-chloro-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one Traditional Name: 6-chloro-3-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]coumarin Formula: C17H9ClN4O4 MolecularWeight: 368.73076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=N2)C3=CC4=C(C=CC(=C4)Cl)OC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=N2)C3=CC4=C(C=CC(=C4)Cl)OC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H9ClN4O4/c18-11-3-6-14-10(7-11)8-13(17(23)26-14)16-19-15(20-21-16)9-1-4-12(5-2-9)22(24)25/h1-8H,(H,19,20,21)