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

Systemtic Name: 3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one Openeye Name: 3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one CAS Name: 3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]chromen-2-one Traditional Name: 3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]coumarin Formula: C17H10N4O4 MolecularWeight: 334.2857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC(=NN3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC(=NN3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H10N4O4/c22-17-13(9-10-4-1-2-7-14(10)25-17)16-18-15(19-20-16)11-5-3-6-12(8-11)21(23)24/h1-9H,(H,18,19,20)