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1-[4-(2-methylpropoxy)-3-nitro-phenyl]pyrazole-4-carboxylic acid

1-[4-(2-methylpropoxy)-3-nitro-phenyl]pyrazole-4-carboxylic acid

Systemtic Name:1-[4-(2-methylpropoxy)-3-nitro-phenyl]pyrazole-4-carboxylic acid
Openeye Name:1-(4-isobutoxy-3-nitro-phenyl)pyrazole-4-carboxylic acid
CAS Name:1-[4-(2-methylpropoxy)-3-nitrophenyl]-4-pyrazolecarboxylic acid
IUPAC Name:1-[4-(2-methylpropoxy)-3-nitrophenyl]pyrazole-4-carboxylic acid
Traditional Name:1-(4-isobutoxy-3-nitro-phenyl)pyrazole-4-carboxylic acid
Formula: C14H15N3O5
MolecularWeight: 305.286
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C14H15N3O5/c1-9(2)8-22-13-4-3-11(5-12(13)17(20)21)16-7-10(6-15-16)14(18)19/h3-7,9H,8H2,1-2H3,(H,18,19)


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