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

Systemtic Name: 5-nitro-2-[(3,4,5-triethoxyphenyl)carbonylamino]benzoic acid Openeye Name: 5-nitro-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid CAS Name: 5-nitro-2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]benzoic acid IUPAC Name: 5-nitro-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid Traditional Name: 5-nitro-2-[(3,4,5-triethoxybenzoyl)amino]benzoic acid Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H22N2O8/c1-4-28-16-9-12(10-17(29-5-2)18(16)30-6-3)19(23)21-15-8-7-13(22(26)27)11-14(15)20(24)25/h7-11H,4-6H2,1-3H3,(H,21,23)(H,24,25)