methyl 4-[2-(6-cyano-5-nitro-pyridin-2-yl)ethyl]benzoate

Systemtic Name: methyl 4-[2-(6-cyano-5-nitro-pyridin-2-yl)ethyl]benzoate Openeye Name: methyl 4-[2-(6-cyano-5-nitro-2-pyridyl)ethyl]benzoate CAS Name: 4-[2-(6-cyano-5-nitro-2-pyridinyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-cyano-5-nitropyridin-2-yl)ethyl]benzoate Traditional Name: 4-[2-(6-cyano-5-nitro-2-pyridyl)ethyl]benzoic acid methyl ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC2=NC(=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC2=NC(=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N3O4/c1-23-16(20)12-5-2-11(3-6-12)4-7-13-8-9-15(19(21)22)14(10-17)18-13/h2-3,5-6,8-9H,4,7H2,1H3