2-acetamido-4-(3-acetamido-4-carboxy-phenyl)carbonyl-benzoic acid

Systemtic Name: 2-acetamido-4-(3-acetamido-4-carboxy-phenyl)carbonyl-benzoic acid Openeye Name: 2-acetamido-4-(3-acetamido-4-carboxy-benzoyl)benzoic acid CAS Name: 2-acetamido-4-[(3-acetamido-4-carboxyphenyl)-oxomethyl]benzoic acid IUPAC Name: 2-acetamido-4-(3-acetamido-4-carboxybenzoyl)benzoic acid Traditional Name: 2-acetamido-4-(3-acetamido-4-carboxy-benzoyl)benzoic acid Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)NC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)NC(=O)C)C(=O)O

InChI

InChI=1S/C19H16N2O7/c1-9(22)20-15-7-11(3-5-13(15)18(25)26)17(24)12-4-6-14(19(27)28)16(8-12)21-10(2)23/h3-8H,1-2H3,(H,20,22)(H,21,23)(H,25,26)(H,27,28)