O5-tert-butyl O1-ethyl (4E)-2-nitro-4-(phenylmethylidene)pentanedioate

Systemtic Name: O5-tert-butyl O1-ethyl (4E)-2-nitro-4-(phenylmethylidene)pentanedioate Openeye Name: O1-tert-butyl O5-ethyl (2E)-2-benzylidene-4-nitro-pentanedioate CAS Name: (4E)-2-nitro-4-(phenylmethylene)pentanedioic acid O5-tert-butyl ester O1-ethyl ester IUPAC Name: 5-O-tert-butyl 1-O-ethyl (4E)-4-benzylidene-2-nitropentanedioate Traditional Name: (2E)-2-benzal-4-nitro-glutaric acid O1-tert-butyl ester O5-ethyl ester Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6/c1-5-24-17(21)15(19(22)23)12-14(16(20)25-18(2,3)4)11-13-9-7-6-8-10-13/h6-11,15H,5,12H2,1-4H3/b14-11+