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

Systemtic Name: 6-methoxy-3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one Openeye Name: 6-methoxy-3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one CAS Name: 6-methoxy-3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-1-benzopyran-2-one IUPAC Name: 6-methoxy-3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one Traditional Name: 6-methoxy-3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]coumarin Formula: C18H12N4O5 MolecularWeight: 364.31168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC(=NN3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC(=NN3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5/c1-26-13-5-6-15-11(8-13)9-14(18(23)27-15)17-19-16(20-21-17)10-3-2-4-12(7-10)22(24)25/h2-9H,1H3,(H,19,20,21)