dimethyl 2-(2-nitro-1-phenyl-ethyl)-2-prop-2-ynyl-propanedioate

Systemtic Name: dimethyl 2-(2-nitro-1-phenyl-ethyl)-2-prop-2-ynyl-propanedioate Openeye Name: dimethyl 2-(2-nitro-1-phenyl-ethyl)-2-prop-2-ynyl-propanedioate CAS Name: 2-(2-nitro-1-phenylethyl)-2-prop-2-ynylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-nitro-1-phenylethyl)-2-prop-2-ynylpropanedioate Traditional Name: 2-(2-nitro-1-phenyl-ethyl)-2-propargyl-malonic acid dimethyl ester Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO6/c1-4-10-16(14(18)22-2,15(19)23-3)13(11-17(20)21)12-8-6-5-7-9-12/h1,5-9,13H,10-11H2,2-3H3