5-(6,7-dimethyl-3-oxidanyl-1,4-dihydroquinoxalin-2-yl)-3-nitro-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 5-(6,7-dimethyl-3-oxidanyl-1,4-dihydroquinoxalin-2-yl)-3-nitro-cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-(3-hydroxy-6,7-dimethyl-1,4-dihydroquinoxalin-2-yl)-3-nitro-1,2-benzoquinone CAS Name: 5-(3-hydroxy-6,7-dimethyl-1,4-dihydroquinoxalin-2-yl)-3-nitrocyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-(3-hydroxy-6,7-dimethyl-1,4-dihydroquinoxalin-2-yl)-3-nitrocyclohexa-3,5-diene-1,2-dione Traditional Name: 5-(3-hydroxy-6,7-dimethyl-1,4-dihydroquinoxalin-2-yl)-3-nitro-o-benzoquinone Formula: C16H13N3O5 MolecularWeight: 327.29152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)NC(=C(N2)C3=CC(=O)C(=O)C(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC2=C(C=C1C)NC(=C(N2)C3=CC(=O)C(=O)C(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H13N3O5/c1-7-3-10-11(4-8(7)2)18-16(22)14(17-10)9-5-12(19(23)24)15(21)13(20)6-9/h3-6,17-18,22H,1-2H3