6-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C16H12N4O5S MolecularWeight: 372.35528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC=C3C=C(C=C(C3=O)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC=C3C=C(C=C(C3=O)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C16H12N4O5S/c1-8-3-9(2)14-13(4-8)26-16(18-14)17-7-10-5-11(19(22)23)6-12(15(10)21)20(24)25/h3-7H,1-2H3,(H,17,18)