2-[[2-methyl-3-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]indol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-methyl-3-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]indol-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-methyl-indol-1-yl]methyl]benzonitrile CAS Name: 2-[[3-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-methyl-1-indolyl]methyl]benzonitrile IUPAC Name: 2-[[3-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-methylindol-1-yl]methyl]benzonitrile Traditional Name: 2-[[3-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-2-methyl-indol-1-yl]methyl]benzonitrile Formula: C23H17N5O4 MolecularWeight: 427.41218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3C#N)C=CC4=NC(=C(C(=O)N4)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3C#N)/C=C/C4=NC(=C(C(=O)N4)[N+](=O)[O-])O

InChI

InChI=1S/C23H17N5O4/c1-14-17(10-11-20-25-22(29)21(28(31)32)23(30)26-20)18-8-4-5-9-19(18)27(14)13-16-7-3-2-6-15(16)12-24/h2-11H,13H2,1H3,(H2,25,26,29,30)/b11-10+