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

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide CAS Name: N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide Traditional Name: N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S/c1-3-29-7-6-21-16-5-4-12(2)8-17(16)30-19(21)20-18(24)13-9-14(22(25)26)11-15(10-13)23(27)28/h4-5,8-11H,3,6-7H2,1-2H3