diethyl 2-methyl-2-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]propanedioate

Systemtic Name: diethyl 2-methyl-2-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]propanedioate Openeye Name: diethyl 2-methyl-2-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]propanedioate CAS Name: 2-methyl-2-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-methyl-2-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]propanedioate Traditional Name: 2-methyl-2-[4-nitro-3-(4-phenylpiperazino)phenyl]malonic acid diethyl ester Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H29N3O6/c1-4-32-22(28)24(3,23(29)33-5-2)18-11-12-20(27(30)31)21(17-18)26-15-13-25(14-16-26)19-9-7-6-8-10-19/h6-12,17H,4-5,13-16H2,1-3H3