tert-butyl 3-[[[1-azanyl-3-[(4-nitrophenyl)methoxy]-3-oxidanylidene-propylidene]amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[[1-azanyl-3-[(4-nitrophenyl)methoxy]-3-oxidanylidene-propylidene]amino]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[[1-amino-3-[(4-nitrophenyl)methoxy]-3-oxo-propylidene]amino]methyl]pyrrolidine-1-carboxylate CAS Name: 3-[[[1-amino-3-[(4-nitrophenyl)methoxy]-3-oxopropylidene]amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[[1-amino-3-[(4-nitrophenyl)methoxy]-3-oxopropylidene]amino]methyl]pyrrolidine-1-carboxylate Traditional Name: 3-[[[1-amino-3-keto-3-(4-nitrobenzyl)oxy-propylidene]amino]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H28N4O6 MolecularWeight: 420.45952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)CN=C(CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)CN=C(CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C20H28N4O6/c1-20(2,3)30-19(26)23-9-8-15(12-23)11-22-17(21)10-18(25)29-13-14-4-6-16(7-5-14)24(27)28/h4-7,15H,8-13H2,1-3H3,(H2,21,22)