4-[[(4-carboxy-3-oxidanyl-phenyl)carbamoylamino]methylcarbamoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[(4-carboxy-3-oxidanyl-phenyl)carbamoylamino]methylcarbamoylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[(4-carboxy-3-hydroxy-phenyl)carbamoylamino]methylcarbamoylamino]-2-hydroxy-benzoic acid CAS Name: 4-[[[[[(4-carboxy-3-hydroxyanilino)-oxomethyl]amino]methylamino]-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[(4-carboxy-3-hydroxyphenyl)carbamoylamino]methylcarbamoylamino]-2-hydroxybenzoic acid Traditional Name: 4-[[(4-carboxy-3-hydroxy-phenyl)carbamoylamino]methylcarbamoylamino]-2-hydroxy-benzoic acid Formula: C17H16N4O8 MolecularWeight: 404.33094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NCNC(=O)NC2=CC(=C(C=C2)C(=O)O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NCNC(=O)NC2=CC(=C(C=C2)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C17H16N4O8/c22-12-5-8(1-3-10(12)14(24)25)20-16(28)18-7-19-17(29)21-9-2-4-11(15(26)27)13(23)6-9/h1-6,22-23H,7H2,(H,24,25)(H,26,27)(H2,18,20,28)(H2,19,21,29)