2-chloranyl-4-[(3,4,5-triethoxyphenyl)carbonylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(3,4,5-triethoxyphenyl)carbonylamino]benzoic acid Openeye Name: 2-chloro-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid CAS Name: 2-chloro-4-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid Traditional Name: 2-chloro-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid Formula: C20H22ClNO6 MolecularWeight: 407.84478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C20H22ClNO6/c1-4-26-16-9-12(10-17(27-5-2)18(16)28-6-3)19(23)22-13-7-8-14(20(24)25)15(21)11-13/h7-11H,4-6H2,1-3H3,(H,22,23)(H,24,25)