3-azanyl-5-[3-[(2,4-dinitrophenyl)amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[(2,4-dinitrophenyl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(2,4-dinitroanilino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-(2,4-dinitroanilino)propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(2,4-dinitroanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(2,4-dinitroanilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C13H13N7O4 MolecularWeight: 331.28682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N7O4/c14-7-9-10(17-18-13(9)15)2-1-5-16-11-4-3-8(19(21)22)6-12(11)20(23)24/h3-4,6,16H,1-2,5H2,(H3,15,17,18)