[2-[[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-[[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-[(3-chloro-9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic 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] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-[(3-chloro-9,10-diketo-2-anthryl)amino]-2-keto-ethyl] ester Formula: C31H18ClN3O5 MolecularWeight: 547.94472

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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(=NC5=CC=CC=C54)C6=CC=NC=C6

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)Cl)NC(=O)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=NC=C6

InChI

InChI=1S/C31H18ClN3O5/c32-24-13-21-22(30(38)20-7-2-1-6-19(20)29(21)37)14-27(24)35-28(36)16-40-31(39)23-15-26(17-9-11-33-12-10-17)34-25-8-4-3-5-18(23)25/h1-15H,16H2,(H,35,36)