diethyl 2-[(1S)-1-(4-imidazol-1-ylphenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: diethyl 2-[(1S)-1-(4-imidazol-1-ylphenyl)-2-nitro-ethyl]propanedioate Openeye Name: diethyl 2-[(1S)-1-(4-imidazol-1-ylphenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1S)-1-[4-(1-imidazolyl)phenyl]-2-nitroethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S)-1-(4-imidazol-1-ylphenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1S)-1-(4-imidazol-1-ylphenyl)-2-nitro-ethyl]malonic acid diethyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)N2C=CN=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H](C[N+](=O)[O-])C1=CC=C(C=C1)N2C=CN=C2)C(=O)OCC

InChI

InChI=1S/C18H21N3O6/c1-3-26-17(22)16(18(23)27-4-2)15(11-21(24)25)13-5-7-14(8-6-13)20-10-9-19-12-20/h5-10,12,15-16H,3-4,11H2,1-2H3/t15-/m1/s1