[2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-[(9,10-dioxo-1-anthryl)amino]-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-[(9,10-diketo-1-anthryl)amino]-2-keto-ethyl] ester Formula: C31H19N3O5 MolecularWeight: 513.49966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=NC=C6

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=NC=C6

InChI

InChI=1S/C31H19N3O5/c35-27(34-25-11-5-9-22-28(25)30(37)21-8-2-1-7-20(21)29(22)36)17-39-31(38)23-16-26(18-12-14-32-15-13-18)33-24-10-4-3-6-19(23)24/h1-16H,17H2,(H,34,35)