3-[4-[(E)-[(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinylidene]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-[(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinylidene]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-[(6-amino-5-nitro-pyrimidin-4-yl)hydrazono]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-[(6-amino-5-nitro-4-pyrimidinyl)hydrazinylidene]methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-[(6-amino-5-nitro-pyrimidin-4-yl)hydrazono]methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C17H15N9O2 MolecularWeight: 377.3601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC3=NC=NC(=C3[N+](=O)[O-])N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N/NC3=NC=NC(=C3[N+](=O)[O-])N)CCC#N

InChI

InChI=1S/C17H15N9O2/c18-7-4-8-25-10-13(14(24-25)12-5-2-1-3-6-12)9-22-23-17-15(26(27)28)16(19)20-11-21-17/h1-3,5-6,9-11H,4,8H2,(H3,19,20,21,23)/b22-9+