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

Systemtic Name: methyl (2E)-4-nitro-2-[(2-nitrophenyl)methylidene]pentanoate Openeye Name: methyl (2E)-4-nitro-2-[(2-nitrophenyl)methylene]pentanoate CAS Name: (2E)-4-nitro-2-[(2-nitrophenyl)methylidene]pentanoic acid methyl ester IUPAC Name: methyl (2E)-4-nitro-2-[(2-nitrophenyl)methylidene]pentanoate Traditional Name: (E)-3-(2-nitrophenyl)-2-(2-nitropropyl)acrylic acid methyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-9(14(17)18)7-11(13(16)21-2)8-10-5-3-4-6-12(10)15(19)20/h3-6,8-9H,7H2,1-2H3/b11-8+