2,2-dimethylpropyl (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: 2,2-dimethylpropyl (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: 2,2-dimethylpropyl (E)-5-(3-nitrophenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(3-nitrophenyl)-3-oxo-4-pentenoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl (E)-5-(3-nitrophenyl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-(3-nitrophenyl)pent-4-enoic acid neopentyl ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)CC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-16(2,3)11-22-15(19)10-14(18)8-7-12-5-4-6-13(9-12)17(20)21/h4-9H,10-11H2,1-3H3/b8-7+