[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H13ClN2O5 MolecularWeight: 396.78062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC(=O)NCCC#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC(=O)NCCC#N)Cl

InChI

InChI=1S/C20H13ClN2O5/c21-17-14(20(27)28-10-15(24)23-9-3-8-22)7-6-13-16(17)19(26)12-5-2-1-4-11(12)18(13)25/h1-2,4-7H,3,9-10H2,(H,23,24)