3-[naphthalen-2-ylmethyl-[4-oxidanyl-3,4-bis(oxidanylidene)butanoyl]amino]benzoic acid

Systemtic Name: 3-[naphthalen-2-ylmethyl-[4-oxidanyl-3,4-bis(oxidanylidene)butanoyl]amino]benzoic acid Openeye Name: 3-[(4-hydroxy-3,4-dioxo-butanoyl)-(2-naphthylmethyl)amino]benzoic acid CAS Name: 3-[(4-hydroxy-1,3,4-trioxobutyl)-(2-naphthalenylmethyl)amino]benzoic acid IUPAC Name: 3-[(4-hydroxy-3,4-dioxobutanoyl)-(naphthalen-2-ylmethyl)amino]benzoic acid Traditional Name: 3-[2-naphthylmethyl(oxalaceto)amino]benzoic acid Formula: C22H17NO6 MolecularWeight: 391.37348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN(C3=CC=CC(=C3)C(=O)O)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN(C3=CC=CC(=C3)C(=O)O)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C22H17NO6/c24-19(22(28)29)12-20(25)23(18-7-3-6-17(11-18)21(26)27)13-14-8-9-15-4-1-2-5-16(15)10-14/h1-11H,12-13H2,(H,26,27)(H,28,29)