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

Systemtic Name: 3-[4-methanoyl-3-(3-nitrophenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-formyl-3-(3-nitrophenyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-formyl-3-(3-nitrophenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-formyl-3-(3-nitrophenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[4-formyl-3-(3-nitrophenyl)pyrazol-1-yl]propionate Formula: C13H10N3O5- MolecularWeight: 288.2356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5/c17-8-10-7-15(5-4-12(18)19)14-13(10)9-2-1-3-11(6-9)16(20)21/h1-3,6-8H,4-5H2,(H,18,19)/p-1