[6-[[5,12-bis(oxidanyl)-6,11-bis(oxidanylidene)-1,2,3,4-tetrahydrotetracen-2-yl]oxy]-2-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-3-yl] 4-nitrobenzoate

Systemtic Name: [6-[[5,12-bis(oxidanyl)-6,11-bis(oxidanylidene)-1,2,3,4-tetrahydrotetracen-2-yl]oxy]-2-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-3-yl] 4-nitrobenzoate Openeye Name: [6-[(5,12-dihydroxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-2-yl)oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-[(5,12-dihydroxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-2-yl)oxy]-2-methyl-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-3-oxanyl] ester IUPAC Name: [6-[(5,12-dihydroxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-2-yl)oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6-[(5,12-dihydroxy-6,11-diketo-1,2,3,4-tetrahydrotetracen-2-yl)oxy]-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-3-yl] ester Formula: C33H27F3N2O11 MolecularWeight: 684.56949

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CCC3=C(C4=C(C(=C3C2)O)C(=O)C5=CC=CC=C5C4=O)O)NC(=O)C(F)(F)F)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(CC(O1)OC2CCC3=C(C4=C(C(=C3C2)O)C(=O)C5=CC=CC=C5C4=O)O)NC(=O)C(F)(F)F)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C33H27F3N2O11/c1-14-30(49-31(43)15-6-8-16(9-7-15)38(45)46)22(37-32(44)33(34,35)36)13-23(47-14)48-17-10-11-20-21(12-17)29(42)25-24(28(20)41)26(39)18-4-2-3-5-19(18)27(25)40/h2-9,14,17,22-23,30,41-42H,10-13H2,1H3,(H,37,44)