O5-tert-butyl O1-ethyl (4E)-2-nitro-4-[(2-nitrophenyl)methylidene]pentanedioate

Systemtic Name: O5-tert-butyl O1-ethyl (4E)-2-nitro-4-[(2-nitrophenyl)methylidene]pentanedioate Openeye Name: O1-tert-butyl O5-ethyl (2E)-4-nitro-2-[(2-nitrophenyl)methylene]pentanedioate CAS Name: (4E)-2-nitro-4-[(2-nitrophenyl)methylidene]pentanedioic acid O5-tert-butyl ester O1-ethyl ester IUPAC Name: 5-O-tert-butyl 1-O-ethyl (4E)-2-nitro-4-[(2-nitrophenyl)methylidene]pentanedioate Traditional Name: (2E)-4-nitro-2-(2-nitrobenzylidene)glutaric acid O1-tert-butyl ester O5-ethyl ester Formula: C18H22N2O8 MolecularWeight: 394.37588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O8/c1-5-27-17(22)15(20(25)26)11-13(16(21)28-18(2,3)4)10-12-8-6-7-9-14(12)19(23)24/h6-10,15H,5,11H2,1-4H3/b13-10+