ethyl 2-cyano-2,3,3-trimethyl-4-(4-nitrophenyl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 2-cyano-2,3,3-trimethyl-4-(4-nitrophenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 2-cyano-2,3,3-trimethyl-4-(4-nitrophenyl)-4-oxo-butanoate CAS Name: 2-cyano-2,3,3-trimethyl-4-(4-nitrophenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2,3,3-trimethyl-4-(4-nitrophenyl)-4-oxobutanoate Traditional Name: 2-cyano-4-keto-2,3,3-trimethyl-4-(4-nitrophenyl)butyric acid ethyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c1-5-23-14(20)16(4,10-17)15(2,3)13(19)11-6-8-12(9-7-11)18(21)22/h6-9H,5H2,1-4H3