(2S,4R)-N-(3,5-dimethylphenyl)-1-(3,5-dinitrophenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-(3,5-dimethylphenyl)-1-(3,5-dinitrophenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N-(3,5-dimethylphenyl)-1-(3,5-dinitrobenzoyl)-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-(3,5-dimethylphenyl)-1-[(3,5-dinitrophenyl)-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-N-(3,5-dimethylphenyl)-1-(3,5-dinitrobenzoyl)-4-hydroxypyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-(3,5-dimethylphenyl)-1-(3,5-dinitrobenzoyl)-4-hydroxy-pyrrolidine-2-carboxamide Formula: C20H20N4O7 MolecularWeight: 428.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2CC(CN2C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)C

InChI

InChI=1S/C20H20N4O7/c1-11-3-12(2)5-14(4-11)21-19(26)18-9-17(25)10-22(18)20(27)13-6-15(23(28)29)8-16(7-13)24(30)31/h3-8,17-18,25H,9-10H2,1-2H3,(H,21,26)/t17-,18+/m1/s1