sodium (E)-3-(1-methyl-3-nitro-pyrazol-4-yl)prop-2-enoate

Systemtic Name: sodium (E)-3-(1-methyl-3-nitro-pyrazol-4-yl)prop-2-enoate Openeye Name: sodium (E)-3-(1-methyl-3-nitro-pyrazol-4-yl)prop-2-enoate CAS Name: sodium (E)-3-(1-methyl-3-nitro-4-pyrazolyl)-2-propenoate IUPAC Name: sodium (E)-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enoate Traditional Name: sodium (E)-3-(1-methyl-3-nitro-pyrazol-4-yl)acrylate Formula: C7H6N3NaO4 MolecularWeight: 219.13001

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)[N+](=O)[O-])C=CC(=O)[O-].[Na+]

Isomeric SMILES

CN1C=C(C(=N1)[N+](=O)[O-])/C=C/C(=O)[O-].[Na+]

InChI

InChI=1S/C7H7N3O4.Na/c1-9-4-5(2-3-6(11)12)7(8-9)10(13)14;/h2-4H,1H3,(H,11,12);/q;+1/p-1/b3-2+;