(2-cyano-6-ethanoyl-3,4-dimethyl-phenyl) 4-nitrobenzoate

Systemtic Name: (2-cyano-6-ethanoyl-3,4-dimethyl-phenyl) 4-nitrobenzoate Openeye Name: (6-acetyl-2-cyano-3,4-dimethyl-phenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (6-acetyl-2-cyano-3,4-dimethylphenyl) ester IUPAC Name: (6-acetyl-2-cyano-3,4-dimethylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (6-acetyl-2-cyano-3,4-dimethyl-phenyl) ester Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O5/c1-10-8-15(12(3)21)17(16(9-19)11(10)2)25-18(22)13-4-6-14(7-5-13)20(23)24/h4-8H,1-3H3