(4-nitrophenyl)methyl 1-[2-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidin-1-yl]carbonylpyrrolidin-1-ium-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-[2-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidin-1-yl]carbonylpyrrolidin-1-ium-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-[2-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidine-1-carbonyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[[2-methyl-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidin-1-iumcarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-[2-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]pyrrolidine-1-carbonyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[2-methyl-2-[(4-nitrobenzyl)oxycarbonylamino]pyrrolidine-1-carbonyl]pyrrolidin-1-ium-1-carboxylic acid (4-nitrobenzyl) ester Formula: C26H30N5O9+ MolecularWeight: 556.5445

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1C(=O)[N+]2(CCCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1(CCCN1C(=O)[N+]2(CCCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O9/c1-26(27-23(32)39-17-19-5-9-21(10-6-19)29(35)36)13-4-14-28(26)24(33)31(15-2-3-16-31)25(34)40-18-20-7-11-22(12-8-20)30(37)38/h5-12H,2-4,13-18H2,1H3/p+1