diethyl 2-acetamido-2-[2-(2-nitro-3-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[2-(2-nitro-3-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-(3-benzyloxy-2-nitro-phenyl)-2-oxo-ethyl]propanedioate CAS Name: 2-acetamido-2-[2-(2-nitro-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-(2-nitro-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate Traditional Name: 2-acetamido-2-[2-(3-benzoxy-2-nitro-phenyl)-2-keto-ethyl]malonic acid diethyl ester Formula: C24H26N2O9 MolecularWeight: 486.47124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=C(C(=CC=C1)OCC2=CC=CC=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=C(C(=CC=C1)OCC2=CC=CC=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C24H26N2O9/c1-4-33-22(29)24(25-16(3)27,23(30)34-5-2)14-19(28)18-12-9-13-20(21(18)26(31)32)35-15-17-10-7-6-8-11-17/h6-13H,4-5,14-15H2,1-3H3,(H,25,27)