2-azanyl-2-[(4-nitrophenyl)methyl]-6-(phenylmethoxycarbonylamino)heptanedioic acid

Systemtic Name: 2-azanyl-2-[(4-nitrophenyl)methyl]-6-(phenylmethoxycarbonylamino)heptanedioic acid Openeye Name: 2-amino-6-(benzyloxycarbonylamino)-2-[(4-nitrophenyl)methyl]heptanedioic acid CAS Name: 2-amino-2-[(4-nitrophenyl)methyl]-6-(phenylmethoxycarbonylamino)heptanedioic acid IUPAC Name: 2-amino-2-[(4-nitrophenyl)methyl]-6-(phenylmethoxycarbonylamino)heptanedioic acid Traditional Name: 2-amino-6-(benzyloxycarbonylamino)-2-(4-nitrobenzyl)pimelic acid Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCC(CC2=CC=C(C=C2)[N+](=O)[O-])(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCC(CC2=CC=C(C=C2)[N+](=O)[O-])(C(=O)O)N)C(=O)O

InChI

InChI=1S/C22H25N3O8/c23-22(20(28)29,13-15-8-10-17(11-9-15)25(31)32)12-4-7-18(19(26)27)24-21(30)33-14-16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-14,23H2,(H,24,30)(H,26,27)(H,28,29)