1-[(2-methoxy-4-methyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2-methoxy-4-methyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(2-methoxy-4-methyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(2-methoxy-4-methylphenoxy)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2-methoxy-4-methylphenoxy)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(2-methoxy-4-methyl-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C13H13N3O6/c1-8-3-4-10(11(5-8)21-2)22-7-15-6-9(16(19)20)12(14-15)13(17)18/h3-6H,7H2,1-2H3,(H,17,18)