O7-ethyl O1-methyl (2E)-4-methyl-4-nitro-2-(phenylmethylidene)heptanedioate

Systemtic Name: O7-ethyl O1-methyl (2E)-4-methyl-4-nitro-2-(phenylmethylidene)heptanedioate Openeye Name: O7-ethyl O1-methyl (2E)-2-benzylidene-4-methyl-4-nitro-heptanedioate CAS Name: (2E)-4-methyl-4-nitro-2-(phenylmethylene)heptanedioic acid O7-ethyl ester O1-methyl ester IUPAC Name: 7-O-ethyl 1-O-methyl (2E)-2-benzylidene-4-methyl-4-nitroheptanedioate Traditional Name: (2E)-2-benzal-4-methyl-4-nitro-pimelic acid O7-ethyl ester O1-methyl ester Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6/c1-4-25-16(20)10-11-18(2,19(22)23)13-15(17(21)24-3)12-14-8-6-5-7-9-14/h5-9,12H,4,10-11,13H2,1-3H3/b15-12+