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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6/c1-3-5-11-25-17(20)15(12-14-9-7-6-8-10-14)13-16(19(22)23)18(21)24-4-2/h6-10,12,16H,3-5,11,13H2,1-2H3/b15-12+