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

Systemtic Name: 3-azanyl-5-[3-[(4-cyano-2-nitro-phenyl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(4-cyano-2-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-(4-cyano-2-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(4-cyano-2-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(4-cyano-2-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C14H13N7O2 MolecularWeight: 311.29872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCCC2=C(C(=NN2)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCCC2=C(C(=NN2)N)C#N

InChI

InChI=1S/C14H13N7O2/c15-7-9-3-4-12(13(6-9)21(22)23)18-5-1-2-11-10(8-16)14(17)20-19-11/h3-4,6,18H,1-2,5H2,(H3,17,19,20)