1-(4-nitrophenyl)ethyl 3-oxidanylidenebutanoate

Systemtic Name: 1-(4-nitrophenyl)ethyl 3-oxidanylidenebutanoate Openeye Name: 1-(4-nitrophenyl)ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 1-(4-nitrophenyl)ethyl ester IUPAC Name: 1-(4-nitrophenyl)ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 1-(4-nitrophenyl)ethyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-8(14)7-12(15)18-9(2)10-3-5-11(6-4-10)13(16)17/h3-6,9H,7H2,1-2H3