diethyl 2-[[5-nitro-3-(phenylmethyl)imidazol-4-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[5-nitro-3-(phenylmethyl)imidazol-4-yl]methylidene]propanedioate Openeye Name: diethyl 2-[(3-benzyl-5-nitro-imidazol-4-yl)methylene]propanedioate CAS Name: 2-[[5-nitro-3-(phenylmethyl)-4-imidazolyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3-benzyl-5-nitroimidazol-4-yl)methylidene]propanedioate Traditional Name: 2-[(3-benzyl-5-nitro-imidazol-4-yl)methylene]malonic acid diethyl ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N=CN1CC2=CC=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=C(N=CN1CC2=CC=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H19N3O6/c1-3-26-17(22)14(18(23)27-4-2)10-15-16(21(24)25)19-12-20(15)11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3