2-methyl-5-(3-nitro-4-propan-2-yloxy-phenyl)pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-5-(3-nitro-4-propan-2-yloxy-phenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-isopropoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 2-methyl-5-(3-nitro-4-propan-2-yloxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-5-(3-nitro-4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-isopropoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O5/c1-8(2)22-13-5-4-9(6-11(13)17(20)21)10-7-12(14(18)19)16(3)15-10/h4-8H,1-3H3,(H,18,19)