5-methyl-4-nitro-2-prop-2-enyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-methyl-4-nitro-2-prop-2-enyl-pyrazole-3-carboxylic acid Openeye Name: 2-allyl-5-methyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 5-methyl-4-nitro-2-prop-2-enyl-3-pyrazolecarboxylic acid IUPAC Name: 5-methyl-4-nitro-2-prop-2-enylpyrazole-3-carboxylic acid Traditional Name: 2-allyl-5-methyl-4-nitro-pyrazole-3-carboxylic acid Formula: C8H9N3O4 MolecularWeight: 211.17476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC=C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC=C

InChI

InChI=1S/C8H9N3O4/c1-3-4-10-7(8(12)13)6(11(14)15)5(2)9-10/h3H,1,4H2,2H3,(H,12,13)