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

Systemtic Name: 2-chloranyl-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide Openeye Name: 2-chloro-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide CAS Name: 2-chloro-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-nitrobenzamide Traditional Name: 2-chloro-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide Formula: C18H15ClN4O6S MolecularWeight: 450.8529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O6S/c1-2-29-8-7-21-15-6-4-12(23(27)28)10-16(15)30-18(21)20-17(24)13-9-11(22(25)26)3-5-14(13)19/h3-6,9-10H,2,7-8H2,1H3