(phenylmethyl) (2S,3R)-2-methanoyl-3-[2-(4-nitrophenyl)ethyl]aziridine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R)-2-methanoyl-3-[2-(4-nitrophenyl)ethyl]aziridine-1-carboxylate Openeye Name: benzyl (2S,3R)-2-formyl-3-[2-(4-nitrophenyl)ethyl]aziridine-1-carboxylate CAS Name: (2S,3R)-2-formyl-3-[2-(4-nitrophenyl)ethyl]-1-aziridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-2-formyl-3-[2-(4-nitrophenyl)ethyl]aziridine-1-carboxylate Traditional Name: (2S,3R)-2-formyl-3-[2-(4-nitrophenyl)ethyl]ethylenimine-1-carboxylic acid benzyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C(C2C=O)CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2[C@@H]([C@H]2C=O)CCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c22-12-18-17(11-8-14-6-9-16(10-7-14)21(24)25)20(18)19(23)26-13-15-4-2-1-3-5-15/h1-7,9-10,12,17-18H,8,11,13H2/t17-,18-,20?/m1/s1