dibenzofuran-2-yl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: dibenzofuran-2-yl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: dibenzofuran-2-yl 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-yl 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid dibenzofuran-2-yl ester Formula: C21H14N2O6S MolecularWeight: 422.41066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O6S/c22-21(25)12-5-8-19(16(9-12)23(26)27)30-11-20(24)28-13-6-7-18-15(10-13)14-3-1-2-4-17(14)29-18/h1-10H,11H2,(H2,22,25)