3-[4-[(E)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-hydroxyiminomethyl]-3-(3-nitrophenyl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-hydroximinomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propionitrile Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C=NO)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O3/c14-5-2-6-17-9-11(8-15-19)13(16-17)10-3-1-4-12(7-10)18(20)21/h1,3-4,7-9,19H,2,6H2/b15-8+