(6E)-4-chloranyl-3,5-dimethyl-2-nitro-6-[[(3-oxidanylpyridin-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-chloranyl-3,5-dimethyl-2-nitro-6-[[(3-oxidanylpyridin-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-chloro-6-[[(3-hydroxy-2-pyridyl)amino]methylene]-3,5-dimethyl-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-chloro-6-[[(3-hydroxy-2-pyridinyl)amino]methylidene]-3,5-dimethyl-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-chloro-6-[[(3-hydroxypyridin-2-yl)amino]methylidene]-3,5-dimethyl-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-chloro-6-[[(3-hydroxy-2-pyridyl)amino]methylene]-3,5-dimethyl-2-nitro-cyclohexa-2,4-dien-1-one Formula: C14H12ClN3O4 MolecularWeight: 321.71578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)C1=CNC2=C(C=CC=N2)O)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC\1=C(C(=C(C(=O)/C1=C/NC2=C(C=CC=N2)O)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C14H12ClN3O4/c1-7-9(6-17-14-10(19)4-3-5-16-14)13(20)12(18(21)22)8(2)11(7)15/h3-6,19H,1-2H3,(H,16,17)/b9-6+