methyl (2E)-4-nitro-2-(phenylmethylidene)pentanoate

Systemtic Name: methyl (2E)-4-nitro-2-(phenylmethylidene)pentanoate Openeye Name: methyl (2E)-2-benzylidene-4-nitro-pentanoate CAS Name: (2E)-4-nitro-2-(phenylmethylene)pentanoic acid methyl ester IUPAC Name: methyl (2E)-2-benzylidene-4-nitropentanoate Traditional Name: (E)-2-(2-nitropropyl)-3-phenyl-acrylic acid methyl ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-10(14(16)17)8-12(13(15)18-2)9-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/b12-9+