5-[[2-oxidanylidene-2-(2-oxidanylidenepropylamino)ethyl]carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-10H-anthracen-9-yl)benzoic acid

Systemtic Name: 5-[[2-oxidanylidene-2-(2-oxidanylidenepropylamino)ethyl]carbamoyl]-2-(3-oxidanyl-6-oxidanylidene-10H-anthracen-9-yl)benzoic acid Openeye Name: 5-[[2-(acetonylamino)-2-oxo-ethyl]carbamoyl]-2-(3-hydroxy-6-oxo-10H-anthracen-9-yl)benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-10H-anthracen-9-yl)-5-[oxo-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]methyl]benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxo-10H-anthracen-9-yl)-5-[[2-oxo-2-(2-oxopropylamino)ethyl]carbamoyl]benzoic acid Traditional Name: 5-[[2-(acetonylamino)-2-keto-ethyl]carbamoyl]-2-(3-hydroxy-6-keto-10H-anthracen-9-yl)benzoic acid Formula: C27H22N2O7 MolecularWeight: 486.47278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC(=O)CNC(=O)C1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3CC4=C2C=CC(=C4)O)C(=O)O

Isomeric SMILES

CC(=O)CNC(=O)CNC(=O)C1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3CC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/C27H22N2O7/c1-14(30)12-28-24(33)13-29-26(34)15-2-5-22(23(11-15)27(35)36)25-20-6-3-18(31)9-16(20)8-17-10-19(32)4-7-21(17)25/h2-7,9-11,31H,8,12-13H2,1H3,(H,28,33)(H,29,34)(H,35,36)