N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide hydrochloride

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide hydrochloride Openeye Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide hydrochloride CAS Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide hydrochloride IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide hydrochloride Traditional Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide hydrochloride Formula: C20H22ClN5O6S MolecularWeight: 495.93658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C20H21N5O6S.ClH/c1-4-31-16-5-6-17-18(12-16)32-20(21-17)23(8-7-22(2)3)19(26)13-9-14(24(27)28)11-15(10-13)25(29)30;/h5-6,9-12H,4,7-8H2,1-3H3;1H