2-[(1S)-1-ethyl-4-oxidanylidene-cyclohex-2-en-1-yl]ethyl 4-nitrobenzoate

Systemtic Name: 2-[(1S)-1-ethyl-4-oxidanylidene-cyclohex-2-en-1-yl]ethyl 4-nitrobenzoate Openeye Name: 2-[(1S)-1-ethyl-4-oxo-cyclohex-2-en-1-yl]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[(1S)-1-ethyl-4-oxo-1-cyclohex-2-enyl]ethyl ester IUPAC Name: 2-[(1S)-1-ethyl-4-oxocyclohex-2-en-1-yl]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[(1S)-1-ethyl-4-keto-cyclohex-2-en-1-yl]ethyl ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(=O)C=C1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@]1(CCC(=O)C=C1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO5/c1-2-17(9-7-15(19)8-10-17)11-12-23-16(20)13-3-5-14(6-4-13)18(21)22/h3-7,9H,2,8,10-12H2,1H3/t17-/m0/s1