3-[4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-[4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl]propanoic acid Openeye Name: 3-[4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl]propanoic acid CAS Name: 3-[4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl]propanoic acid IUPAC Name: 3-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenyl]propanoic acid Traditional Name: 3-[4-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]phenyl]propionic acid Formula: C23H17NO6 MolecularWeight: 403.38418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4=CC=C(C=C4)CCC(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4=CC=C(C=C4)CCC(=O)O)N

InChI

InChI=1S/C23H17NO6/c24-21-17(30-13-8-5-12(6-9-13)7-10-18(26)27)11-16(25)19-20(21)23(29)15-4-2-1-3-14(15)22(19)28/h1-6,8-9,11,25H,7,10,24H2,(H,26,27)