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

Systemtic Name: N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Openeye Name: N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide CAS Name: N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide IUPAC Name: N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide Traditional Name: N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Formula: C19H18N4O7S MolecularWeight: 446.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])N2CCOC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])N2CCOC

InChI

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