methyl 2-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]ethanoate

Systemtic Name: methyl 2-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]ethanoate Openeye Name: methyl 2-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]acetate CAS Name: 2-[[3-(2-nitro-4-sulfamoylanilino)-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[3-(2-nitro-4-sulfamoylanilino)propanoylamino]acetate Traditional Name: 2-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]acetic acid methyl ester Formula: C12H16N4O7S MolecularWeight: 360.34304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O7S/c1-23-12(18)7-15-11(17)4-5-14-9-3-2-8(24(13,21)22)6-10(9)16(19)20/h2-3,6,14H,4-5,7H2,1H3,(H,15,17)(H2,13,21,22)