ethyl 2-[(4-chloranyl-6-phenoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoate

Systemtic Name: ethyl 2-[(4-chloranyl-6-phenoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoate Openeye Name: ethyl 2-[(4-chloro-6-phenoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoate CAS Name: 2-[[[(4-chloro-6-phenoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-6-phenoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-nitrobenzoate Traditional Name: 2-[(4-chloro-6-phenoxy-pyrimidin-2-yl)carbamoylsulfamoyl]-4-nitro-benzoic acid ethyl ester Formula: C20H16ClN5O8S MolecularWeight: 521.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C20H16ClN5O8S/c1-2-33-18(27)14-9-8-12(26(29)30)10-15(14)35(31,32)25-20(28)24-19-22-16(21)11-17(23-19)34-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,22,23,24,25,28)