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

Systemtic Name: N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-3,5-dinitro-benzamide Openeye Name: N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-3,5-dinitro-benzamide CAS Name: N-[3-(2-methoxyethyl)-2-benzo[g][1,3]benzothiazolylidene]-3,5-dinitrobenzamide IUPAC Name: N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-3,5-dinitrobenzamide Traditional Name: N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-3,5-dinitro-benzamide Formula: C21H16N4O6S MolecularWeight: 452.43994

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S/c1-31-9-8-23-18-7-6-13-4-2-3-5-17(13)19(18)32-21(23)22-20(26)14-10-15(24(27)28)12-16(11-14)25(29)30/h2-7,10-12H,8-9H2,1H3