4-[[4-[(4-carboxy-3-oxidanyl-phenyl)carbamoyl]piperazin-1-yl]carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[4-[(4-carboxy-3-oxidanyl-phenyl)carbamoyl]piperazin-1-yl]carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[4-[(4-carboxy-3-hydroxy-phenyl)carbamoyl]piperazine-1-carbonyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[[[4-[(4-carboxy-3-hydroxyanilino)-oxomethyl]-1-piperazinyl]-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[4-[(4-carboxy-3-hydroxyphenyl)carbamoyl]piperazine-1-carbonyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[[4-[(4-carboxy-3-hydroxy-phenyl)carbamoyl]piperazine-1-carbonyl]amino]-2-hydroxy-benzoic acid Formula: C20H20N4O8 MolecularWeight: 444.3948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NC2=CC(=C(C=C2)C(=O)O)O)C(=O)NC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

C1CN(CCN1C(=O)NC2=CC(=C(C=C2)C(=O)O)O)C(=O)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C20H20N4O8/c25-15-9-11(1-3-13(15)17(27)28)21-19(31)23-5-7-24(8-6-23)20(32)22-12-2-4-14(18(29)30)16(26)10-12/h1-4,9-10,25-26H,5-8H2,(H,21,31)(H,22,32)(H,27,28)(H,29,30)