diethyl (4E)-2-nitro-4-[(2-nitrophenyl)methylidene]pentanedioate

Systemtic Name: diethyl (4E)-2-nitro-4-[(2-nitrophenyl)methylidene]pentanedioate Openeye Name: diethyl (4E)-2-nitro-4-[(2-nitrophenyl)methylene]pentanedioate CAS Name: (4E)-2-nitro-4-[(2-nitrophenyl)methylidene]pentanedioic acid diethyl ester IUPAC Name: diethyl (4E)-2-nitro-4-[(2-nitrophenyl)methylidene]pentanedioate Traditional Name: (4E)-2-nitro-4-(2-nitrobenzylidene)glutaric acid diethyl ester Formula: C16H18N2O8 MolecularWeight: 366.32272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O8/c1-3-25-15(19)12(10-14(18(23)24)16(20)26-4-2)9-11-7-5-6-8-13(11)17(21)22/h5-9,14H,3-4,10H2,1-2H3/b12-9+