5-(4-hexyl-3-oxidanyl-1H-quinoxalin-2-yl)-3-nitro-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 5-(4-hexyl-3-oxidanyl-1H-quinoxalin-2-yl)-3-nitro-cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-(4-hexyl-3-hydroxy-1H-quinoxalin-2-yl)-3-nitro-1,2-benzoquinone CAS Name: 5-(4-hexyl-3-hydroxy-1H-quinoxalin-2-yl)-3-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-(4-hexyl-3-hydroxy-1H-quinoxalin-2-yl)-3-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 5-(4-hexyl-3-hydroxy-1H-quinoxalin-2-yl)-3-nitro-o-benzoquinone Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2NC(=C1O)C3=CC(=O)C(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2NC(=C1O)C3=CC(=O)C(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-2-3-4-7-10-22-15-9-6-5-8-14(15)21-18(20(22)26)13-11-16(23(27)28)19(25)17(24)12-13/h5-6,8-9,11-12,21,26H,2-4,7,10H2,1H3