N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,5-dinitro-benzamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,5-dinitro-benzamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,5-dinitrobenzamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,5-dinitrobenzamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,5-dinitro-benzamide Formula: C19H18ClN5O6S MolecularWeight: 479.89412

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O6S/c1-22(2)6-7-23(19-21-16-15(31-3)5-4-14(20)17(16)32-19)18(26)11-8-12(24(27)28)10-13(9-11)25(29)30/h4-5,8-10H,6-7H2,1-3H3