3-nitro-5-(2-oxidanyl-6-propyl-4H-1,4-benzoxazin-3-yl)cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3-nitro-5-(2-oxidanyl-6-propyl-4H-1,4-benzoxazin-3-yl)cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-(2-hydroxy-6-propyl-4H-1,4-benzoxazin-3-yl)-3-nitro-1,2-benzoquinone CAS Name: 5-(2-hydroxy-6-propyl-4H-1,4-benzoxazin-3-yl)-3-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-(2-hydroxy-6-propyl-4H-1,4-benzoxazin-3-yl)-3-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 5-(2-hydroxy-6-propyl-4H-1,4-benzoxazin-3-yl)-3-nitro-o-benzoquinone Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)OC(=C(N2)C3=CC(=O)C(=O)C(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCCC1=CC2=C(C=C1)OC(=C(N2)C3=CC(=O)C(=O)C(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H14N2O6/c1-2-3-9-4-5-14-11(6-9)18-15(17(22)25-14)10-7-12(19(23)24)16(21)13(20)8-10/h4-8,18,22H,2-3H2,1H3