(E)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-(5,6-dimethyl-1-benzimidazolyl)-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C(=O)/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O3/c1-12-9-15-17(10-13(12)2)20(11-19-15)18(22)8-7-14-5-3-4-6-16(14)21(23)24/h3-11H,1-2H3/b8-7+