2-[(4-butoxycarbonylphenyl)-nitroso-amino]benzoic acid

Systemtic Name: 2-[(4-butoxycarbonylphenyl)-nitroso-amino]benzoic acid Openeye Name: 2-(4-butoxycarbonyl-N-nitroso-anilino)benzoic acid CAS Name: 2-[4-[butoxy(oxo)methyl]-N-nitrosoanilino]benzoic acid IUPAC Name: 2-(4-butoxycarbonyl-N-nitrosoanilino)benzoic acid Traditional Name: 2-(4-butoxycarbonyl-N-nitroso-anilino)benzoic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N(C2=CC=CC=C2C(=O)O)N=O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N(C2=CC=CC=C2C(=O)O)N=O

InChI

InChI=1S/C18H18N2O5/c1-2-3-12-25-18(23)13-8-10-14(11-9-13)20(19-24)16-7-5-4-6-15(16)17(21)22/h4-11H,2-3,12H2,1H3,(H,21,22)