(1-azanyl-1-oxidanylidene-propan-2-yl) 4-chloranyl-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-chloranyl-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-chloro-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-chloro-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C17H16ClN3O8S MolecularWeight: 457.84224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16ClN3O8S/c1-9(16(19)22)29-17(23)10-3-5-12(18)15(7-10)30(26,27)20-13-8-11(21(24)25)4-6-14(13)28-2/h3-9,20H,1-2H3,(H2,19,22)