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4-methyl-3-nitro-benzoic acid

4-methyl-3-nitro-benzoic acid

Systemtic Name:4-methyl-3-nitro-benzoic acid
Openeye Name:4-methyl-3-nitro-benzoic acid
CAS Name:4-methyl-3-nitrobenzoic acid
IUPAC Name:4-methyl-3-nitrobenzoic acid
Traditional Name:4-methyl-3-nitro-benzoic acid
Formula: C8H7NO4
MolecularWeight: 181.14548
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)


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