3-[[[2-oxidanyl-1,4-bis(oxidanylidene)-3,8a-dihydro-2H-naphthalen-4a-yl]amino]methyl]benzoic acid

Systemtic Name: 3-[[[2-oxidanyl-1,4-bis(oxidanylidene)-3,8a-dihydro-2H-naphthalen-4a-yl]amino]methyl]benzoic acid Openeye Name: 3-[[(2-hydroxy-1,4-dioxo-3,8a-dihydro-2H-naphthalen-4a-yl)amino]methyl]benzoic acid CAS Name: 3-[[(2-hydroxy-1,4-dioxo-3,8a-dihydro-2H-naphthalen-4a-yl)amino]methyl]benzoic acid IUPAC Name: 3-[[(2-hydroxy-1,4-dioxo-3,8a-dihydro-2H-naphthalen-4a-yl)amino]methyl]benzoic acid Traditional Name: 3-[[(2-hydroxy-1,4-diketo-3,8a-dihydro-2H-naphthalen-4a-yl)amino]methyl]benzoic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2C=CC=CC2(C1=O)NCC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

C1C(C(=O)C2C=CC=CC2(C1=O)NCC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C18H17NO5/c20-14-9-15(21)18(7-2-1-6-13(18)16(14)22)19-10-11-4-3-5-12(8-11)17(23)24/h1-8,13-14,19-20H,9-10H2,(H,23,24)