(4-nitrophenyl)methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-3-(nitromethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-3-(nitromethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(2-methoxy-2-oxo-ethyl)-3-(nitromethyl)pyrrolidine-1-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-3-(nitromethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(2-methoxy-2-oxoethyl)-3-(nitromethyl)pyrrolidine-1-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-3-(nitromethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H19N3O8 MolecularWeight: 381.33736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CCN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1(CCN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O8/c1-26-14(20)8-16(11-18(22)23)6-7-17(10-16)15(21)27-9-12-2-4-13(5-3-12)19(24)25/h2-5H,6-11H2,1H3