3-[[5-(2-carboxyethylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propanoic acid

Systemtic Name: 3-[[5-(2-carboxyethylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propanoic acid Openeye Name: 3-[[5-(2-carboxyethylamino)-9,10-dioxo-1-anthryl]amino]propanoic acid CAS Name: 3-[[5-(2-carboxyethylamino)-9,10-dioxo-1-anthracenyl]amino]propanoic acid IUPAC Name: 3-[[5-(2-carboxyethylamino)-9,10-dioxoanthracen-1-yl]amino]propanoic acid Traditional Name: 3-[[5-(2-carboxyethylamino)-9,10-diketo-1-anthryl]amino]propionic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NCCC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)NCCC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)NCCC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)NCCC(=O)O

InChI

InChI=1S/C20H18N2O6/c23-15(24)7-9-21-13-5-1-3-11-17(13)20(28)12-4-2-6-14(18(12)19(11)27)22-10-8-16(25)26/h1-6,21-22H,7-10H2,(H,23,24)(H,25,26)