4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]-5-methoxy-3-methyl-2-nitro-benzoic acid

Systemtic Name: 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]-5-methoxy-3-methyl-2-nitro-benzoic acid Openeye Name: 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]-5-methoxy-3-methyl-2-nitro-benzoic acid CAS Name: 4-[3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propoxy]-5-methoxy-3-methyl-2-nitrobenzoic acid IUPAC Name: 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]-5-methoxy-3-methyl-2-nitrobenzoic acid Traditional Name: 4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]-5-methoxy-3-methyl-2-nitro-benzoic acid Formula: C27H26N2O8 MolecularWeight: 506.50394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1OCCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1OCCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C27H26N2O8/c1-16-24(29(33)34)21(26(30)31)14-23(35-2)25(16)36-13-7-12-28-27(32)37-15-22-19-10-5-3-8-17(19)18-9-4-6-11-20(18)22/h3-6,8-11,14,22H,7,12-13,15H2,1-2H3,(H,28,32)(H,30,31)