[1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-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-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C28H24ClNO5 MolecularWeight: 489.94686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C28H24ClNO5/c1-14(2)17-11-7-8-15(3)24(17)30-27(33)16(4)35-28(34)21-13-12-20-22(23(21)29)26(32)19-10-6-5-9-18(19)25(20)31/h5-14,16H,1-4H3,(H,30,33)