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5-methoxycarbonyl-4-nitro-2-(phenylmethyl)pyrazole-3-carboxylic acid

5-methoxycarbonyl-4-nitro-2-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name:5-methoxycarbonyl-4-nitro-2-(phenylmethyl)pyrazole-3-carboxylic acid
Openeye Name:2-benzyl-5-methoxycarbonyl-4-nitro-pyrazole-3-carboxylic acid
CAS Name:5-methoxycarbonyl-4-nitro-2-(phenylmethyl)-3-pyrazolecarboxylic acid
IUPAC Name:2-benzyl-5-methoxycarbonyl-4-nitropyrazole-3-carboxylic acid
Traditional Name:2-benzyl-5-carbomethoxy-4-nitro-pyrazole-3-carboxylic acid
Formula: C13H11N3O6
MolecularWeight: 305.24294
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC2=CC=CC=C2


Isomeric SMILES

COC(=O)C1=NN(C(=C1[N+](=O)[O-])C(=O)O)CC2=CC=CC=C2


InChI

InChI=1S/C13H11N3O6/c1-22-13(19)9-10(16(20)21)11(12(17)18)15(14-9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,17,18)


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