2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]-1,3-benzoxazole

Systemtic Name: 2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]-1,3-benzoxazole Openeye Name: 2-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]-1,3-benzoxazole CAS Name: 2-[[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]methyl]-1,3-benzoxazole IUPAC Name: 2-[(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)methyl]-1,3-benzoxazole Traditional Name: 2-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]-1,3-benzoxazole Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7S/c22-21(23)15-11-13(29(24,25)20-7-9-26-10-8-20)5-6-17(15)27-12-18-19-14-3-1-2-4-16(14)28-18/h1-6,11H,7-10,12H2