5-azanyl-3-(cyanomethyl)-1-(2,4-dinitrophenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-(cyanomethyl)-1-(2,4-dinitrophenyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-(cyanomethyl)-1-(2,4-dinitrophenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-(cyanomethyl)-1-(2,4-dinitrophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-(cyanomethyl)-1-(2,4-dinitrophenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-(cyanomethyl)-1-(2,4-dinitrophenyl)pyrazole-4-carbonitrile Formula: C12H7N7O4 MolecularWeight: 313.22848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C(=C(C(=N2)CC#N)C#N)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C(=C(C(=N2)CC#N)C#N)N

InChI

InChI=1S/C12H7N7O4/c13-4-3-9-8(6-14)12(15)17(16-9)10-2-1-7(18(20)21)5-11(10)19(22)23/h1-2,5H,3,15H2