4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-amino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-2-anthracenecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-amino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-anthracene-2-carboxylic acid 4-phthalimidobutyl ester Formula: C27H20N2O6 MolecularWeight: 468.4575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C27H20N2O6/c28-22-20(12-11-19-21(22)24(31)16-8-2-1-7-15(16)23(19)30)27(34)35-14-6-5-13-29-25(32)17-9-3-4-10-18(17)26(29)33/h1-4,7-12H,5-6,13-14,28H2