tert-butyl 3-[2-[bis[(4-nitrophenyl)methoxycarbonylamino]methylideneamino]ethanoylamino]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[bis[(4-nitrophenyl)methoxycarbonylamino]methylideneamino]ethanoylamino]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-[bis[(4-nitrophenyl)methoxycarbonylamino]methyleneamino]acetyl]amino]azetidine-1-carboxylate CAS Name: 3-[[2-[bis[[(4-nitrophenyl)methoxy-oxomethyl]amino]methylideneamino]-1-oxoethyl]amino]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-[bis[(4-nitrophenyl)methoxycarbonylamino]methylideneamino]acetyl]amino]azetidine-1-carboxylate Traditional Name: 3-[[2-[bis[(4-nitrobenzyl)oxycarbonylamino]methyleneamino]acetyl]amino]azetidine-1-carboxylic acid tert-butyl ester Formula: C27H31N7O11 MolecularWeight: 629.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)NC(=O)CN=C(NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)NC(=O)CN=C(NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H31N7O11/c1-27(2,3)45-26(38)32-13-19(14-32)29-22(35)12-28-23(30-24(36)43-15-17-4-8-20(9-5-17)33(39)40)31-25(37)44-16-18-6-10-21(11-7-18)34(41)42/h4-11,19H,12-16H2,1-3H3,(H,29,35)(H2,28,30,31,36,37)