methyl 4-cyano-4-(4-nitrophenyl)hexanoate

Systemtic Name: methyl 4-cyano-4-(4-nitrophenyl)hexanoate Openeye Name: methyl 4-cyano-4-(4-nitrophenyl)hexanoate CAS Name: 4-cyano-4-(4-nitrophenyl)hexanoic acid methyl ester IUPAC Name: methyl 4-cyano-4-(4-nitrophenyl)hexanoate Traditional Name: 4-cyano-4-(4-nitrophenyl)hexanoic acid methyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-3-14(10-15,9-8-13(17)20-2)11-4-6-12(7-5-11)16(18)19/h4-7H,3,8-9H2,1-2H3