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

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C23H13BrClNO5 MolecularWeight: 498.71002

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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)OCC(=O)NC4=CC=C(C=C4)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C23H13BrClNO5/c24-12-5-7-13(8-6-12)26-18(27)11-31-23(30)17-10-9-16-19(20(17)25)22(29)15-4-2-1-3-14(15)21(16)28/h1-10H,11H2,(H,26,27)