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

Systemtic Name: [2-[[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(3-chloro-9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic 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] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[(3-chloro-9,10-diketo-2-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=CC(=C(C=C3C2=O)Cl)NC(=O)COC(=O)C4=CN=CC=C4

Isomeric SMILES

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

InChI

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