3-[2-[bis[(4-nitrophenyl)methoxycarbonylamino]methylideneamino]propanoylamino]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[2-[bis[(4-nitrophenyl)methoxycarbonylamino]methylideneamino]propanoylamino]pyrrolidine-1-carboxylic acid Openeye Name: 3-[2-[bis[(4-nitrophenyl)methoxycarbonylamino]methyleneamino]propanoylamino]pyrrolidine-1-carboxylic acid CAS Name: 3-[[2-[bis[[(4-nitrophenyl)methoxy-oxomethyl]amino]methylideneamino]-1-oxopropyl]amino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[2-[bis[(4-nitrophenyl)methoxycarbonylamino]methylideneamino]propanoylamino]pyrrolidine-1-carboxylic acid Traditional Name: 3-[2-[bis[(4-nitrobenzyl)oxycarbonylamino]methyleneamino]propanoylamino]pyrrolidine-1-carboxylic acid Formula: C25H27N7O11 MolecularWeight: 601.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCN(C1)C(=O)O)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)NC1CCN(C1)C(=O)O)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/C25H27N7O11/c1-15(21(33)27-18-10-11-30(12-18)25(36)37)26-22(28-23(34)42-13-16-2-6-19(7-3-16)31(38)39)29-24(35)43-14-17-4-8-20(9-5-17)32(40)41/h2-9,15,18H,10-14H2,1H3,(H,27,33)(H,36,37)(H2,26,28,29,34,35)