[2-[[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[(3-chloro-9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[(3-chloro-9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chloro-9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[(3-chloro-9,10-diketo-2-anthryl)amino]-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=CC(=C(C=C3C2=O)Cl)NC(=O)COC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)Cl)NC(=O)COC(=O)C4=CC(=CC=C4)Br

InChI

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