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

Systemtic Name: 3-azanyl-5-[3-[(2,4-dinitrophenyl)-methyl-amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(N-methyl-2,4-dinitro-anilino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-(N-methyl-2,4-dinitroanilino)propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(N-methyl-2,4-dinitroanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(N-methyl-2,4-dinitro-anilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C14H15N7O4 MolecularWeight: 345.3134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N7O4/c1-19(6-2-3-11-10(8-15)14(16)18-17-11)12-5-4-9(20(22)23)7-13(12)21(24)25/h4-5,7H,2-3,6H2,1H3,(H3,16,17,18)