3-[4-(2,4-dinitrophenoxy)-3-nitro-phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[4-(2,4-dinitrophenoxy)-3-nitro-phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[4-(2,4-dinitrophenoxy)-3-nitro-phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid CAS Name: 3-[4-(2,4-dinitrophenoxy)-3-nitrophenyl]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[4-(2,4-dinitrophenoxy)-3-nitrophenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[4-(2,4-dinitrophenoxy)-3-nitro-phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C30H22N4O11 MolecularWeight: 614.51588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC(=C(C=C4)OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC(=C(C=C4)OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C30H22N4O11/c35-29(36)24(31-30(37)44-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23)13-17-9-11-27(25(14-17)33(40)41)45-28-12-10-18(32(38)39)15-26(28)34(42)43/h1-12,14-15,23-24H,13,16H2,(H,31,37)(H,35,36)