[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] (3S)-1-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] (3S)-1-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] (3S)-1-[(4-nitrobenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[[(4-nitrophenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] (3S)-1-[(4-nitrobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[(4-nitrobenzoyl)amino]pyrrolidine-3-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C20H16N4O9 MolecularWeight: 456.36244

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](CN(C1=O)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O9/c25-17(13-2-1-3-16(8-13)24(31)32)11-33-20(28)14-9-18(26)22(10-14)21-19(27)12-4-6-15(7-5-12)23(29)30/h1-8,14H,9-11H2,(H,21,27)/t14-/m0/s1