(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C23H12ClN3O5 MolecularWeight: 445.81148

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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)OCN4C(=O)C5=CC=CC=C5N=N4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCN4C(=O)C5=CC=CC=C5N=N4)Cl

InChI

InChI=1S/C23H12ClN3O5/c24-19-16(10-9-15-18(19)21(29)13-6-2-1-5-12(13)20(15)28)23(31)32-11-27-22(30)14-7-3-4-8-17(14)25-26-27/h1-10H,11H2