2-methyl-3-(3-methyl-4-nitro-phenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-methyl-3-(3-methyl-4-nitro-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-methyl-3-(3-methyl-4-nitro-phenyl)-3-oxo-propanenitrile CAS Name: 2-methyl-3-(3-methyl-4-nitrophenyl)-3-oxopropanenitrile IUPAC Name: 2-methyl-3-(3-methyl-4-nitrophenyl)-3-oxopropanenitrile Traditional Name: 3-keto-2-methyl-3-(3-methyl-4-nitro-phenyl)propionitrile Formula: C11H10N2O3 MolecularWeight: 218.2087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O3/c1-7-5-9(11(14)8(2)6-12)3-4-10(7)13(15)16/h3-5,8H,1-2H3