2-[4-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-nitro-1-cyclohexa-1,5-dienyl)sulfonyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-nitrocyclohexa-1,5-dien-1-yl)sulfonylbutyl]isoindoline-1,3-quinone Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1[N+](=O)[O-])S(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1C=C(C=CC1[N+](=O)[O-])S(=O)(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H18N2O6S/c21-17-15-5-1-2-6-16(15)18(22)19(17)11-3-4-12-27(25,26)14-9-7-13(8-10-14)20(23)24/h1-2,5-7,9-10,13H,3-4,8,11-12H2