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

Systemtic Name: 2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]isoindoline-1,3-quinone Formula: C19H17N3O8S MolecularWeight: 447.41858

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OCN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O8S/c23-18-14-3-1-2-4-15(14)19(24)21(18)12-30-17-6-5-13(11-16(17)22(25)26)31(27,28)20-7-9-29-10-8-20/h1-6,11H,7-10,12H2