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

Systemtic Name: 3-[4-[(E)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-[(E)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-[(E)-hydroxyiminomethyl]-3-(3-nitrophenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(E)-hydroxyiminomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[4-[(E)-hydroximinomethyl]-3-(3-nitrophenyl)pyrazol-1-yl]propionate Formula: C13H11N4O5- MolecularWeight: 303.25024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O5/c18-12(19)4-5-16-8-10(7-14-20)13(15-16)9-2-1-3-11(6-9)17(21)22/h1-3,6-8,20H,4-5H2,(H,18,19)/p-1/b14-7+