4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-nitro-benzonitrile CAS Name: 4-[methyl-[(1-methyl-4-pyrazolyl)methyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-nitro-benzonitrile Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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