[2-(dibenzofuran-2-ylamino)-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-(dibenzofuran-2-ylamino)-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(dibenzofuran-2-ylamino)-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-(2-dibenzofuranylamino)-2-oxoethyl] ester IUPAC Name: [2-(dibenzofuran-2-ylamino)-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(dibenzofuran-2-ylamino)-2-keto-ethyl] ester Formula: C22H16N2O6 MolecularWeight: 404.37224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O6/c1-13-6-7-14(10-18(13)24(27)28)22(26)29-12-21(25)23-15-8-9-20-17(11-15)16-4-2-3-5-19(16)30-20/h2-11H,12H2,1H3,(H,23,25)