O1-ethyl O5-methyl (4E)-2-nitro-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pentanedioate

Systemtic Name: O1-ethyl O5-methyl (4E)-2-nitro-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pentanedioate Openeye Name: O1-ethyl O5-methyl (4E)-2-nitro-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]pentanedioate CAS Name: (4E)-2-nitro-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pentanedioic acid O1-ethyl ester O5-methyl ester IUPAC Name: 1-O-ethyl 5-O-methyl (4E)-2-nitro-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pentanedioate Traditional Name: (4E)-2-nitro-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]glutaric acid O1-ethyl ester O5-methyl ester Formula: C16H16N2O10 MolecularWeight: 396.30564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C/C(=C\C1=CC2=C(C=C1[N+](=O)[O-])OCO2)/C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O10/c1-3-26-16(20)12(18(23)24)5-10(15(19)25-2)4-9-6-13-14(28-8-27-13)7-11(9)17(21)22/h4,6-7,12H,3,5,8H2,1-2H3/b10-4+