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

Systemtic Name: [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-2-oxo-ethyl] 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [1-[(2-methoxy-3-dibenzofuranyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [2-keto-2-[(2-methoxydibenzofuran-3-yl)amino]-1-methyl-ethyl] ester Formula: C29H22N2O7S MolecularWeight: 542.55918

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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)SC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)OC(=O)C4=CC(=C(C=C4)SC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H22N2O7S/c1-17(28(32)30-22-16-25-21(15-26(22)36-2)20-10-6-7-11-24(20)38-25)37-29(33)18-12-13-27(23(14-18)31(34)35)39-19-8-4-3-5-9-19/h3-17H,1-2H3,(H,30,32)