(Z)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-ethoxy-1-(4-nitrophenyl)-3-oxidanyl-prop-2-en-1-one

Systemtic Name: (Z)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-ethoxy-1-(4-nitrophenyl)-3-oxidanyl-prop-2-en-1-one Openeye Name: (Z)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-ethoxy-3-hydroxy-1-(4-nitrophenyl)prop-2-en-1-one CAS Name: (Z)-2-(2,3-dimethyl-1-benzimidazol-3-iumyl)-3-ethoxy-3-hydroxy-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (Z)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-ethoxy-3-hydroxy-1-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (Z)-2-(2,3-dimethylbenzimidazol-3-ium-1-yl)-3-ethoxy-3-hydroxy-1-(4-nitrophenyl)prop-2-en-1-one Formula: C20H20N3O5+ MolecularWeight: 382.3899

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2C(=[N+](C3=CC=CC=C32)C)C)O

Isomeric SMILES

CCO/C(=C(/C(=O)C1=CC=C(C=C1)[N+](=O)[O-])\N2C(=[N+](C3=CC=CC=C32)C)C)/O

InChI

InChI=1S/C20H19N3O5/c1-4-28-20(25)18(19(24)14-9-11-15(12-10-14)23(26)27)22-13(2)21(3)16-7-5-6-8-17(16)22/h5-12H,4H2,1-3H3/p+1