tert-butyl 3-[2-[[azanyl-[(4-nitrophenyl)methoxycarbonylamino]methylidene]amino]ethanoylamino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[[azanyl-[(4-nitrophenyl)methoxycarbonylamino]methylidene]amino]ethanoylamino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-[[amino-[(4-nitrophenyl)methoxycarbonylamino]methylene]amino]acetyl]amino]pyrrolidine-1-carboxylate CAS Name: 3-[[2-[[amino-[[(4-nitrophenyl)methoxy-oxomethyl]amino]methylidene]amino]-1-oxoethyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-[[amino-[(4-nitrophenyl)methoxycarbonylamino]methylidene]amino]acetyl]amino]pyrrolidine-1-carboxylate Traditional Name: 3-[[2-[[amino-[(4-nitrobenzyl)oxycarbonylamino]methylene]amino]acetyl]amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H28N6O7 MolecularWeight: 464.47232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O7/c1-20(2,3)33-19(29)25-9-8-14(11-25)23-16(27)10-22-17(21)24-18(28)32-12-13-4-6-15(7-5-13)26(30)31/h4-7,14H,8-12H2,1-3H3,(H,23,27)(H3,21,22,24,28)