2-[(1-methylpyrazol-4-yl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(1-methylpyrazol-4-yl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(1-methylpyrazol-4-yl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[(1-methyl-4-pyrazolyl)methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(1-methylpyrazol-4-yl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(1-methylpyrazol-4-yl)methylamino]-5-nitro-benzonitrile Formula: C12H11N5O2 MolecularWeight: 257.24804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CN1C=C(C=N1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H11N5O2/c1-16-8-9(7-15-16)6-14-12-3-2-11(17(18)19)4-10(12)5-13/h2-4,7-8,14H,6H2,1H3