N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide

Systemtic Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Openeye Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide CAS Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide IUPAC Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide Traditional Name: N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Formula: C19H18N4O7S MolecularWeight: 446.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CCOC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CCOC

InChI

InChI=1S/C19H18N4O7S/c1-3-30-15-4-5-16-17(11-15)31-19(21(16)6-7-29-2)20-18(24)12-8-13(22(25)26)10-14(9-12)23(27)28/h4-5,8-11H,3,6-7H2,1-2H3