methyl 2-cyano-2-[3-(2-nitro-4-sulfamoyl-phenoxy)quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-(2-nitro-4-sulfamoyl-phenoxy)quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-(2-nitro-4-sulfamoyl-phenoxy)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(2-nitro-4-sulfamoylphenoxy)-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-(2-nitro-4-sulfamoylphenoxy)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(2-nitro-4-sulfamoyl-phenoxy)quinoxalin-2-yl]acetic acid methyl ester Formula: C18H13N5O7S MolecularWeight: 443.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1OC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1OC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O7S/c1-29-18(24)11(9-19)16-17(22-13-5-3-2-4-12(13)21-16)30-15-7-6-10(31(20,27)28)8-14(15)23(25)26/h2-8,11H,1H3,(H2,20,27,28)