3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]-1,2,3-benzotriazin-4-one Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6S/c24-18-14-5-1-2-6-15(14)19-20-22(18)12-29-17-8-7-13(11-16(17)23(25)26)30(27,28)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2