diethyl 2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]propanedioate

Systemtic Name: diethyl 2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-(2,5-dioxopyrrolidin-1-yl)propanedioate CAS Name: 2-(2,5-dioxo-1-pyrrolidinyl)-2-[[[5-nitro-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1-benzyl-5-nitroimidazole-4-carbonyl)amino]-2-(2,5-dioxopyrrolidin-1-yl)propanedioate Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-succinimido-malonic acid diethyl ester Formula: C22H23N5O9 MolecularWeight: 501.44612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)(NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-])N3C(=O)CCC3=O

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)(NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-])N3C(=O)CCC3=O

InChI

InChI=1S/C22H23N5O9/c1-3-35-20(31)22(21(32)36-4-2,26-15(28)10-11-16(26)29)24-18(30)17-19(27(33)34)25(13-23-17)12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,24,30)