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

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C27H22ClNO5 MolecularWeight: 475.92028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C27H22ClNO5/c1-2-8-21(16-9-4-3-5-10-16)29-22(30)15-34-27(33)20-14-13-19-23(24(20)28)26(32)18-12-7-6-11-17(18)25(19)31/h3-7,9-14,21H,2,8,15H2,1H3,(H,29,30)