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

Systemtic Name: 3-[[4,5-bis(chloranyl)-2-nitro-phenyl]amino]-1-methyl-pyrazole-4-carbonitrile Openeye Name: 3-(4,5-dichloro-2-nitro-anilino)-1-methyl-pyrazole-4-carbonitrile CAS Name: 3-(4,5-dichloro-2-nitroanilino)-1-methyl-4-pyrazolecarbonitrile IUPAC Name: 3-(4,5-dichloro-2-nitroanilino)-1-methylpyrazole-4-carbonitrile Traditional Name: 3-(4,5-dichloro-2-nitro-anilino)-1-methyl-pyrazole-4-carbonitrile Formula: C11H7Cl2N5O2 MolecularWeight: 312.11158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)NC2=CC(=C(C=C2[N+](=O)[O-])Cl)Cl)C#N

Isomeric SMILES

CN1C=C(C(=N1)NC2=CC(=C(C=C2[N+](=O)[O-])Cl)Cl)C#N

InChI

InChI=1S/C11H7Cl2N5O2/c1-17-5-6(4-14)11(16-17)15-9-2-7(12)8(13)3-10(9)18(19)20/h2-3,5H,1H3,(H,15,16)