[1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[(9,10-dioxo-2-anthryl)amino]-1-methyl-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-[(9,10-dioxo-2-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[(9,10-diketo-2-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H15BrN2O5 MolecularWeight: 479.2796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C23H15BrN2O5/c1-12(31-23(30)13-8-14(24)11-25-10-13)22(29)26-15-6-7-18-19(9-15)21(28)17-5-3-2-4-16(17)20(18)27/h2-12H,1H3,(H,26,29)