N-[4-chloranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide

Systemtic Name: N-[4-chloranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Openeye Name: N-[4-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide CAS Name: N-[4-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide IUPAC Name: N-[4-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide Traditional Name: N-[4-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Formula: C17H13ClN4O6S MolecularWeight: 436.82632

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O6S/c1-28-6-5-20-15-13(18)3-2-4-14(15)29-17(20)19-16(23)10-7-11(21(24)25)9-12(8-10)22(26)27/h2-4,7-9H,5-6H2,1H3