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

Systemtic Name: 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5-nitro-benzonitrile CAS Name: 2-[methyl-[(1-methyl-4-pyrazolyl)methyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-5-nitro-benzonitrile Formula: C13H13N5O2 MolecularWeight: 271.27462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O2/c1-16(8-10-7-15-17(2)9-10)13-4-3-12(18(19)20)5-11(13)6-14/h3-5,7,9H,8H2,1-2H3