4-(4-bromophenyl)-2-(3-nitropyridin-2-yl)-1,2,4-triazol-3-one

Systemtic Name: 4-(4-bromophenyl)-2-(3-nitropyridin-2-yl)-1,2,4-triazol-3-one Openeye Name: 4-(4-bromophenyl)-2-(3-nitro-2-pyridyl)-1,2,4-triazol-3-one CAS Name: 4-(4-bromophenyl)-2-(3-nitro-2-pyridinyl)-1,2,4-triazol-3-one IUPAC Name: 4-(4-bromophenyl)-2-(3-nitropyridin-2-yl)-1,2,4-triazol-3-one Traditional Name: 4-(4-bromophenyl)-2-(3-nitro-2-pyridyl)-1,2,4-triazol-3-one Formula: C13H8BrN5O3 MolecularWeight: 362.13832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H8BrN5O3/c14-9-3-5-10(6-4-9)17-8-16-18(13(17)20)12-11(19(21)22)2-1-7-15-12/h1-8H