diethyl (2S,3S)-1-(3,5-dinitrophenyl)carbonylaziridine-2,3-dicarboxylate

Systemtic Name: diethyl (2S,3S)-1-(3,5-dinitrophenyl)carbonylaziridine-2,3-dicarboxylate Openeye Name: diethyl (2S,3S)-1-(3,5-dinitrobenzoyl)aziridine-2,3-dicarboxylate CAS Name: (2S,3S)-1-[(3,5-dinitrophenyl)-oxomethyl]aziridine-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (2S,3S)-1-(3,5-dinitrobenzoyl)aziridine-2,3-dicarboxylate Traditional Name: (2S,3S)-1-(3,5-dinitrobenzoyl)ethylenimine-2,3-dicarboxylic acid diethyl ester Formula: C15H15N3O9 MolecularWeight: 381.2943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](N1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H15N3O9/c1-3-26-14(20)11-12(15(21)27-4-2)16(11)13(19)8-5-9(17(22)23)7-10(6-8)18(24)25/h5-7,11-12H,3-4H2,1-2H3/t11-,12-/m0/s1