dimethyl (2E)-4-methyl-4-nitro-2-(phenylmethylidene)heptanedioate

Systemtic Name: dimethyl (2E)-4-methyl-4-nitro-2-(phenylmethylidene)heptanedioate Openeye Name: dimethyl (2E)-2-benzylidene-4-methyl-4-nitro-heptanedioate CAS Name: (2E)-4-methyl-4-nitro-2-(phenylmethylene)heptanedioic acid dimethyl ester IUPAC Name: dimethyl (2E)-2-benzylidene-4-methyl-4-nitroheptanedioate Traditional Name: (2E)-2-benzal-4-methyl-4-nitro-pimelic acid dimethyl ester Formula: C17H21NO6 MolecularWeight: 335.35174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO6/c1-17(18(21)22,10-9-15(19)23-2)12-14(16(20)24-3)11-13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3/b14-11+