[1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate

Systemtic Name: [1-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate Openeye Name: [2-[(9,10-dioxo-2-anthryl)amino]-1-methyl-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [1-[(9,10-dioxo-2-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-[(9,10-diketo-2-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C26H21NO5/c1-14-8-10-18(15(2)12-14)26(31)32-16(3)25(30)27-17-9-11-21-22(13-17)24(29)20-7-5-4-6-19(20)23(21)28/h4-13,16H,1-3H3,(H,27,30)