diethyl 3-cyano-3-(3-methoxy-2-nitro-phenyl)pentanedioate

Systemtic Name: diethyl 3-cyano-3-(3-methoxy-2-nitro-phenyl)pentanedioate Openeye Name: diethyl 3-cyano-3-(3-methoxy-2-nitro-phenyl)pentanedioate CAS Name: 3-cyano-3-(3-methoxy-2-nitrophenyl)pentanedioic acid diethyl ester IUPAC Name: diethyl 3-cyano-3-(3-methoxy-2-nitrophenyl)pentanedioate Traditional Name: 3-cyano-3-(3-methoxy-2-nitro-phenyl)glutaric acid diethyl ester Formula: C17H20N2O7 MolecularWeight: 364.3499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)OCC)(C#N)C1=C(C(=CC=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(CC(=O)OCC)(C#N)C1=C(C(=CC=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O7/c1-4-25-14(20)9-17(11-18,10-15(21)26-5-2)12-7-6-8-13(24-3)16(12)19(22)23/h6-8H,4-5,9-10H2,1-3H3