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

Systemtic Name: 3-[[[3-oxidanyl-1,4-bis(oxidanylidene)-4a,8a-dihydronaphthalen-2-yl]amino]methyl]benzoic acid Openeye Name: 3-[[(3-hydroxy-1,4-dioxo-4a,8a-dihydronaphthalen-2-yl)amino]methyl]benzoic acid CAS Name: 3-[[(3-hydroxy-1,4-dioxo-4a,8a-dihydronaphthalen-2-yl)amino]methyl]benzoic acid IUPAC Name: 3-[[(3-hydroxy-1,4-dioxo-4a,8a-dihydronaphthalen-2-yl)amino]methyl]benzoic acid Traditional Name: 3-[[(3-hydroxy-1,4-diketo-4a,8a-dihydronaphthalen-2-yl)amino]methyl]benzoic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)C(=O)C(=C(C2=O)NCC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

C1=CC2C(C=C1)C(=O)C(=C(C2=O)NCC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C18H15NO5/c20-15-12-6-1-2-7-13(12)16(21)17(22)14(15)19-9-10-4-3-5-11(8-10)18(23)24/h1-8,12-13,19,22H,9H2,(H,23,24)