5-(2-dimethylaminoethyloxy)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-3H-inden-1-one; sulfuric acid

Systemtic Name: 5-(2-dimethylaminoethyloxy)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-3H-inden-1-one; sulfuric acid Openeye Name: 5-(2-dimethylaminoethyloxy)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]indan-1-one; sulfuric acid CAS Name: 5-(2-dimethylaminoethyloxy)-2-[(1-methyl-5-nitro-2-imidazolyl)methylidene]-3H-inden-1-one; sulfuric acid IUPAC Name: 5-(2-dimethylaminoethyloxy)-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-3H-inden-1-one; sulfuric acid Traditional Name: 5-(2-dimethylaminoethyloxy)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]indan-1-one; sulfuric acid Formula: C18H22N4O8S MolecularWeight: 454.45428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C=C2CC3=C(C2=O)C=CC(=C3)OCCN(C)C)[N+](=O)[O-].OS(=O)(=O)O

Isomeric SMILES

CN1C(=CN=C1C=C2CC3=C(C2=O)C=CC(=C3)OCCN(C)C)[N+](=O)[O-].OS(=O)(=O)O

InChI

InChI=1S/C18H20N4O4.H2O4S/c1-20(2)6-7-26-14-4-5-15-12(9-14)8-13(18(15)23)10-16-19-11-17(21(16)3)22(24)25;1-5(2,3)4/h4-5,9-11H,6-8H2,1-3H3;(H2,1,2,3,4)