[(2R)-1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [(2R)-1-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [(1R)-2-[(9,10-dioxo-1-anthryl)amino]-1-methyl-2-oxo-ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [(2R)-1-[(9,10-dioxo-1-anthracenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [(1R)-2-[(9,10-diketo-1-anthryl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H19NO6 MolecularWeight: 429.42146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C25H19NO6/c1-13-10-11-15(12-20(13)27)25(31)32-14(2)24(30)26-19-9-5-8-18-21(19)23(29)17-7-4-3-6-16(17)22(18)28/h3-12,14,27H,1-2H3,(H,26,30)/t14-/m1/s1