ethyl 4-[(E)-2-nitroethenyl]-1-(oxan-2-yl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-2-nitroethenyl]-1-(oxan-2-yl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-nitrovinyl]-1-tetrahydropyran-2-yl-pyrazole-3-carboxylate CAS Name: 4-[(E)-2-nitroethenyl]-1-(2-oxanyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-nitroethenyl]-1-(oxan-2-yl)pyrazole-3-carboxylate Traditional Name: 4-[(E)-2-nitrovinyl]-1-tetrahydropyran-2-yl-pyrazole-3-carboxylic acid ethyl ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C=C[N+](=O)[O-])C2CCCCO2

Isomeric SMILES

CCOC(=O)C1=NN(C=C1/C=C/[N+](=O)[O-])C2CCCCO2

InChI

InChI=1S/C13H17N3O5/c1-2-20-13(17)12-10(6-7-16(18)19)9-15(14-12)11-5-3-4-8-21-11/h6-7,9,11H,2-5,8H2,1H3/b7-6+