(2E)-4-methyl-4-nitro-2-[(4-nitrophenyl)methylidene]pentanal

Systemtic Name: (2E)-4-methyl-4-nitro-2-[(4-nitrophenyl)methylidene]pentanal Openeye Name: (2E)-4-methyl-4-nitro-2-[(4-nitrophenyl)methylene]pentanal CAS Name: (2E)-4-methyl-4-nitro-2-[(4-nitrophenyl)methylidene]pentanal IUPAC Name: (2E)-4-methyl-4-nitro-2-[(4-nitrophenyl)methylidene]pentanal Traditional Name: (E)-2-(2-methyl-2-nitro-propyl)-3-(4-nitrophenyl)acrolein Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c1-13(2,15(19)20)8-11(9-16)7-10-3-5-12(6-4-10)14(17)18/h3-7,9H,8H2,1-2H3/b11-7+