2-[(4-nitrophenyl)methylamino]-2,6-bis(phenylmethoxycarbonyl)heptanedioic acid

Systemtic Name: 2-[(4-nitrophenyl)methylamino]-2,6-bis(phenylmethoxycarbonyl)heptanedioic acid Openeye Name: 2,6-bis(benzyloxycarbonyl)-2-[(4-nitrophenyl)methylamino]heptanedioic acid CAS Name: 2-[(4-nitrophenyl)methylamino]-2,6-bis(phenylmethoxycarbonyl)heptanedioic acid IUPAC Name: 2-[(4-nitrophenyl)methylamino]-2,6-bis(phenylmethoxycarbonyl)heptanedioic acid Traditional Name: 2,6-dicarbobenzoxy-2-[(4-nitrobenzyl)amino]pimelic acid Formula: C30H30N2O10 MolecularWeight: 578.5666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCC(C(=O)O)(C(=O)OCC2=CC=CC=C2)NCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCCC(C(=O)O)(C(=O)OCC2=CC=CC=C2)NCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C30H30N2O10/c33-26(34)25(27(35)41-19-22-8-3-1-4-9-22)12-7-17-30(28(36)37,29(38)42-20-23-10-5-2-6-11-23)31-18-21-13-15-24(16-14-21)32(39)40/h1-6,8-11,13-16,25,31H,7,12,17-20H2,(H,33,34)(H,36,37)