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

Systemtic Name: tert-butyl 3-[2-[bis[(4-nitrophenyl)methoxycarbonylamino]methylideneamino]propanoylamino]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[2-[bis[(4-nitrophenyl)methoxycarbonylamino]methyleneamino]propanoylamino]azetidine-1-carboxylate CAS Name: 3-[[2-[bis[[(4-nitrophenyl)methoxy-oxomethyl]amino]methylideneamino]-1-oxopropyl]amino]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[bis[(4-nitrophenyl)methoxycarbonylamino]methylideneamino]propanoylamino]azetidine-1-carboxylate Traditional Name: 3-[2-[bis[(4-nitrobenzyl)oxycarbonylamino]methyleneamino]propanoylamino]azetidine-1-carboxylic acid tert-butyl ester Formula: C28H33N7O11 MolecularWeight: 643.60192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CN(C1)C(=O)OC(C)(C)C)N=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(=O)NC1CN(C1)C(=O)OC(C)(C)C)N=C(NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H33N7O11/c1-17(23(36)30-20-13-33(14-20)27(39)46-28(2,3)4)29-24(31-25(37)44-15-18-5-9-21(10-6-18)34(40)41)32-26(38)45-16-19-7-11-22(12-8-19)35(42)43/h5-12,17,20H,13-16H2,1-4H3,(H,30,36)(H2,29,31,32,37,38)