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

Systemtic Name: 3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]-1,2,3-benzotriazin-4-one Formula: C18H17N5O7S MolecularWeight: 447.42188

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCN3C(=O)C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O7S/c24-18-14-3-1-2-4-15(14)19-20-22(18)12-30-17-6-5-13(11-16(17)23(25)26)31(27,28)21-7-9-29-10-8-21/h1-6,11H,7-10,12H2