methyl 2-cyano-3-(4-nitrophenyl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 2-cyano-3-(4-nitrophenyl)-3-oxidanylidene-propanoate Openeye Name: methyl 2-cyano-3-(4-nitrophenyl)-3-oxo-propanoate CAS Name: 2-cyano-3-(4-nitrophenyl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-cyano-3-(4-nitrophenyl)-3-oxopropanoate Traditional Name: 2-cyano-3-keto-3-(4-nitrophenyl)propionic acid methyl ester Formula: C11H8N2O5 MolecularWeight: 248.19162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O5/c1-18-11(15)9(6-12)10(14)7-2-4-8(5-3-7)13(16)17/h2-5,9H,1H3