5-methoxy-2-[nitroso-(2,4,6-trimethylphenyl)amino]benzoic acid

Systemtic Name: 5-methoxy-2-[nitroso-(2,4,6-trimethylphenyl)amino]benzoic acid Openeye Name: 5-methoxy-2-(2,4,6-trimethyl-N-nitroso-anilino)benzoic acid CAS Name: 5-methoxy-2-(2,4,6-trimethyl-N-nitrosoanilino)benzoic acid IUPAC Name: 5-methoxy-2-(2,4,6-trimethyl-N-nitrosoanilino)benzoic acid Traditional Name: 5-methoxy-2-(2,4,6-trimethyl-N-nitroso-anilino)benzoic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N(C2=C(C=C(C=C2)OC)C(=O)O)N=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N(C2=C(C=C(C=C2)OC)C(=O)O)N=O)C

InChI

InChI=1S/C17H18N2O4/c1-10-7-11(2)16(12(3)8-10)19(18-22)15-6-5-13(23-4)9-14(15)17(20)21/h5-9H,1-4H3,(H,20,21)