dimethyl 2-[2-nitro-1-(4-octoxyphenyl)ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-nitro-1-(4-octoxyphenyl)ethyl]propanedioate Openeye Name: dimethyl 2-[2-nitro-1-(4-octoxyphenyl)ethyl]propanedioate CAS Name: 2-[2-nitro-1-(4-octoxyphenyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-nitro-1-(4-octoxyphenyl)ethyl]propanedioate Traditional Name: 2-[2-nitro-1-(4-octoxyphenyl)ethyl]malonic acid dimethyl ester Formula: C21H31NO7 MolecularWeight: 409.47334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H31NO7/c1-4-5-6-7-8-9-14-29-17-12-10-16(11-13-17)18(15-22(25)26)19(20(23)27-2)21(24)28-3/h10-13,18-19H,4-9,14-15H2,1-3H3