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

Systemtic Name: N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide CAS Name: N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide Traditional Name: N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Formula: C20H20N4O8S MolecularWeight: 476.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOCCN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H20N4O8S/c1-4-32-6-5-22-15-10-16(30-2)17(31-3)11-18(15)33-20(22)21-19(25)12-7-13(23(26)27)9-14(8-12)24(28)29/h7-11H,4-6H2,1-3H3