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

Systemtic Name: 5-[[4,5-bis(chloranyl)-2-nitro-phenyl]amino]-2-methyl-1,2,3-triazole-4-carbonitrile Openeye Name: 5-(4,5-dichloro-2-nitro-anilino)-2-methyl-triazole-4-carbonitrile CAS Name: 5-(4,5-dichloro-2-nitroanilino)-2-methyl-4-triazolecarbonitrile IUPAC Name: 5-(4,5-dichloro-2-nitroanilino)-2-methyltriazole-4-carbonitrile Traditional Name: 5-(4,5-dichloro-2-nitro-anilino)-2-methyl-triazole-4-carbonitrile Formula: C10H6Cl2N6O2 MolecularWeight: 313.09964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N6O2/c1-17-15-8(4-13)10(16-17)14-7-2-5(11)6(12)3-9(7)18(19)20/h2-3H,1H3,(H,14,16)