[2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[(9,10-dioxo-1-anthryl)amino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[(9,10-diketo-1-anthryl)amino]-2-keto-ethyl] ester Formula: C22H13ClN2O5 MolecularWeight: 420.80202

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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=CN=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)COC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H13ClN2O5/c23-17-9-8-12(10-24-17)22(29)30-11-18(26)25-16-7-3-6-15-19(16)21(28)14-5-2-1-4-13(14)20(15)27/h1-10H,11H2,(H,25,26)