[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [1-[(2-methoxy-3-dibenzofuranyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-ethyl] ester Formula: C24H20N2O9S MolecularWeight: 512.4886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)C4=CC(=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)C4=CC(=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O9S/c1-13(34-24(28)14-8-9-22(36(3,31)32)18(10-14)26(29)30)23(27)25-17-12-20-16(11-21(17)33-2)15-6-4-5-7-19(15)35-20/h4-13H,1-3H3,(H,25,27)