5-[(4-bromanyl-2-nitro-phenyl)amino]-2-methyl-1,2,3-triazole-4-carbonitrile

Systemtic Name: 5-[(4-bromanyl-2-nitro-phenyl)amino]-2-methyl-1,2,3-triazole-4-carbonitrile Openeye Name: 5-(4-bromo-2-nitro-anilino)-2-methyl-triazole-4-carbonitrile CAS Name: 5-(4-bromo-2-nitroanilino)-2-methyl-4-triazolecarbonitrile IUPAC Name: 5-(4-bromo-2-nitroanilino)-2-methyltriazole-4-carbonitrile Traditional Name: 5-(4-bromo-2-nitro-anilino)-2-methyl-triazole-4-carbonitrile Formula: C10H7BrN6O2 MolecularWeight: 323.10558

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(C(=N1)NC2=C(C=C(C=C2)Br)[N+](=O)[O-])C#N

Isomeric SMILES

CN1N=C(C(=N1)NC2=C(C=C(C=C2)Br)[N+](=O)[O-])C#N

InChI

InChI=1S/C10H7BrN6O2/c1-16-14-8(5-12)10(15-16)13-7-3-2-6(11)4-9(7)17(18)19/h2-4H,1H3,(H,13,15)