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

Systemtic Name: N-[5-chloranyl-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Openeye Name: N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide CAS Name: N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide IUPAC Name: N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3,5-dinitrobenzamide Traditional Name: N-[5-chloro-3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3,5-dinitro-benzamide Formula: C18H15ClN4O6S MolecularWeight: 450.8529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CCOC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CCOC)Cl

InChI

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