4-methyl-5-nitroso-2-oxidanyl-benzoic acid

Systemtic Name: 4-methyl-5-nitroso-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-methyl-5-nitroso-benzoic acid CAS Name: 2-hydroxy-4-methyl-5-nitrosobenzoic acid IUPAC Name: 2-hydroxy-4-methyl-5-nitrosobenzoic acid Traditional Name: 2-hydroxy-4-methyl-5-nitroso-benzoic acid Formula: C8H7NO4 MolecularWeight: 181.14548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)O)N=O

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)O)N=O

InChI

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