3-[(4-methoxyphenyl)-nitroso-amino]benzoic acid

Systemtic Name: 3-[(4-methoxyphenyl)-nitroso-amino]benzoic acid Openeye Name: 3-(4-methoxy-N-nitroso-anilino)benzoic acid CAS Name: 3-(4-methoxy-N-nitrosoanilino)benzoic acid IUPAC Name: 3-(4-methoxy-N-nitrosoanilino)benzoic acid Traditional Name: 3-(4-methoxy-N-nitroso-anilino)benzoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C2=CC=CC(=C2)C(=O)O)N=O

Isomeric SMILES

COC1=CC=C(C=C1)N(C2=CC=CC(=C2)C(=O)O)N=O

InChI

InChI=1S/C14H12N2O4/c1-20-13-7-5-11(6-8-13)16(15-19)12-4-2-3-10(9-12)14(17)18/h2-9H,1H3,(H,17,18)