[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H21ClN2O5 MolecularWeight: 452.88694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C24H21ClN2O5/c1-12(2)24(4,11-26)27-22(30)13(3)32-23(31)17-10-9-16-18(19(17)25)21(29)15-8-6-5-7-14(15)20(16)28/h5-10,12-13H,1-4H3,(H,27,30)