3-azanyl-5-[3-[(2-chloranyl-4-nitro-phenyl)-methyl-amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[(2-chloranyl-4-nitro-phenyl)-methyl-amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(2-chloro-N-methyl-4-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-(2-chloro-N-methyl-4-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(2-chloro-N-methyl-4-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(2-chloro-N-methyl-4-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C14H15ClN6O2 MolecularWeight: 334.7609

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=C(C(=NN1)N)C#N)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CCCC1=C(C(=NN1)N)C#N)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H15ClN6O2/c1-20(13-5-4-9(21(22)23)7-11(13)15)6-2-3-12-10(8-16)14(17)19-18-12/h4-5,7H,2-3,6H2,1H3,(H3,17,18,19)