(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1-amino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-2-anthracenecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1-amino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-anthracene-2-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H16ClNO6 MolecularWeight: 449.83994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)N)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)N)Cl

InChI

InChI=1S/C24H16ClNO6/c25-14-7-12-9-30-11-32-23(12)13(8-14)10-31-24(29)18-6-5-17-19(20(18)26)22(28)16-4-2-1-3-15(16)21(17)27/h1-8H,9-11,26H2