methyl (2E)-4-nitro-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pentanoate

Systemtic Name: methyl (2E)-4-nitro-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pentanoate Openeye Name: methyl (2E)-4-nitro-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]pentanoate CAS Name: (2E)-4-nitro-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pentanoic acid methyl ester IUPAC Name: methyl (2E)-4-nitro-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pentanoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-(2-nitropropyl)acrylic acid methyl ester Formula: C14H14N2O8 MolecularWeight: 338.26956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O8/c1-8(15(18)19)3-10(14(17)22-2)4-9-5-12-13(24-7-23-12)6-11(9)16(20)21/h4-6,8H,3,7H2,1-2H3/b10-4+