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

Systemtic Name: 3-azanyl-5-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(2-chloro-4-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-(2-chloro-4-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(2-chloro-4-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(2-chloro-4-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C13H13ClN6O2 MolecularWeight: 320.73432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCCCC2=C(C(=NN2)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCCCC2=C(C(=NN2)N)C#N

InChI

InChI=1S/C13H13ClN6O2/c14-10-6-8(20(21)22)3-4-12(10)17-5-1-2-11-9(7-15)13(16)19-18-11/h3-4,6,17H,1-2,5H2,(H3,16,18,19)