diethyl 2-[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonyliminopropanedioate

Systemtic Name: diethyl 2-[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonyliminopropanedioate Openeye Name: diethyl 2-(1-benzyl-5-nitro-imidazole-4-carbonyl)iminopropanedioate CAS Name: 2-[[5-nitro-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]iminopropanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-benzyl-5-nitroimidazole-4-carbonyl)iminopropanedioate Traditional Name: 2-(1-benzyl-5-nitro-imidazole-4-carbonyl)iminomalonic acid diethyl ester Formula: C18H18N4O7 MolecularWeight: 402.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H18N4O7/c1-3-28-17(24)14(18(25)29-4-2)20-15(23)13-16(22(26)27)21(11-19-13)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3