3-[(4-nitrophenyl)methyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[(4-nitrophenyl)methyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[(4-nitrophenyl)methyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one CAS Name: 3-[(4-nitrophenyl)methyl]-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-2-one IUPAC Name: 3-[(4-nitrophenyl)methyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-(4-nitrobenzyl)-6-pyrrolidinosulfonyl-1,3-benzoxazol-2-one Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c22-18-20(12-13-3-5-14(6-4-13)21(23)24)16-8-7-15(11-17(16)27-18)28(25,26)19-9-1-2-10-19/h3-8,11H,1-2,9-10,12H2