methyl 2-[[3-methoxypropyl-(4-nitrophenyl)sulfonyl-amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[3-methoxypropyl-(4-nitrophenyl)sulfonyl-amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[3-methoxypropyl-(4-nitrophenyl)sulfonyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[3-methoxypropyl-(4-nitrophenyl)sulfonylamino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methoxypropyl-(4-nitrophenyl)sulfonylamino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[3-methoxypropyl(nosyl)amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C16H19N3O8S MolecularWeight: 413.40236

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=NC(=CO1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COCCCN(CC1=NC(=CO1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O8S/c1-25-9-3-8-18(10-15-17-14(11-27-15)16(20)26-2)28(23,24)13-6-4-12(5-7-13)19(21)22/h4-7,11H,3,8-10H2,1-2H3