diethyl 2-cyano-3-(1-nitro-3-phenyl-propyl)-2-pentyl-butanedioate

Systemtic Name: diethyl 2-cyano-3-(1-nitro-3-phenyl-propyl)-2-pentyl-butanedioate Openeye Name: diethyl 2-cyano-3-(1-nitro-3-phenyl-propyl)-2-pentyl-butanedioate CAS Name: 2-cyano-3-(1-nitro-3-phenylpropyl)-2-pentylbutanedioic acid diethyl ester IUPAC Name: diethyl 2-cyano-3-(1-nitro-3-phenylpropyl)-2-pentylbutanedioate Traditional Name: 2-amyl-2-cyano-3-(1-nitro-3-phenyl-propyl)succinic acid diethyl ester Formula: C23H32N2O6 MolecularWeight: 432.50998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#N)(C(C(CCC1=CC=CC=C1)[N+](=O)[O-])C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCC(C#N)(C(C(CCC1=CC=CC=C1)[N+](=O)[O-])C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C23H32N2O6/c1-4-7-11-16-23(17-24,22(27)31-6-3)20(21(26)30-5-2)19(25(28)29)15-14-18-12-9-8-10-13-18/h8-10,12-13,19-20H,4-7,11,14-16H2,1-3H3