2,3-dimethyl-5-[3-(4-nitrophenyl)-3-oxidanylidene-propanoyl]-6-oxidanyl-benzenecarbonitrile

Systemtic Name: 2,3-dimethyl-5-[3-(4-nitrophenyl)-3-oxidanylidene-propanoyl]-6-oxidanyl-benzenecarbonitrile Openeye Name: 2-hydroxy-5,6-dimethyl-3-[3-(4-nitrophenyl)-3-oxo-propanoyl]benzonitrile CAS Name: 2-hydroxy-5,6-dimethyl-3-[3-(4-nitrophenyl)-1,3-dioxopropyl]benzonitrile IUPAC Name: 2-hydroxy-5,6-dimethyl-3-[3-(4-nitrophenyl)-3-oxopropanoyl]benzonitrile Traditional Name: 2-hydroxy-3-[3-keto-3-(4-nitrophenyl)propanoyl]-5,6-dimethyl-benzonitrile Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O)C#N)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O)C#N)C

InChI

InChI=1S/C18H14N2O5/c1-10-7-14(18(23)15(9-19)11(10)2)17(22)8-16(21)12-3-5-13(6-4-12)20(24)25/h3-7,23H,8H2,1-2H3