methyl 3-(3-nitrophenyl)-1-(phenylmethyl)aziridine-2-carboxylate

Systemtic Name: methyl 3-(3-nitrophenyl)-1-(phenylmethyl)aziridine-2-carboxylate Openeye Name: methyl 1-benzyl-3-(3-nitrophenyl)aziridine-2-carboxylate CAS Name: 3-(3-nitrophenyl)-1-(phenylmethyl)-2-aziridinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-(3-nitrophenyl)aziridine-2-carboxylate Traditional Name: 1-benzyl-3-(3-nitrophenyl)ethylenimine-2-carboxylic acid methyl ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O4/c1-23-17(20)16-15(13-8-5-9-14(10-13)19(21)22)18(16)11-12-6-3-2-4-7-12/h2-10,15-16H,11H2,1H3