(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)acrylonitrile Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC4=C(C=C3[N+](=O)[O-])N(C(=O)N4C)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=CC4=C(C=C3[N+](=O)[O-])N(C(=O)N4C)C)/C#N

InChI

InChI=1S/C21H18N6O3/c1-11-5-15-16(6-12(11)2)24-20(23-15)14(10-22)7-13-8-18-19(9-17(13)27(29)30)26(4)21(28)25(18)3/h5-9H,1-4H3,(H,23,24)/b14-7+