[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C27H21ClN2O5 MolecularWeight: 488.91904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C27H21ClN2O5/c28-24-21(11-10-20-23(24)26(33)19-9-5-4-8-18(19)25(20)32)27(34)35-16-22(31)30-14-12-29(13-15-30)17-6-2-1-3-7-17/h1-11H,12-16H2