(3-cyanophenyl)methyl 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid (3-cyanobenzyl) ester Formula: C23H12ClNO4 MolecularWeight: 401.79868

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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)OCC4=CC=CC(=C4)C#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=CC=CC(=C4)C#N)Cl

InChI

InChI=1S/C23H12ClNO4/c24-20-18(23(28)29-12-14-5-3-4-13(10-14)11-25)9-8-17-19(20)22(27)16-7-2-1-6-15(16)21(17)26/h1-10H,12H2