6-azanyl-2-[(4-nitrophenyl)-phenylmethoxycarbonyl-amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[(4-nitrophenyl)-phenylmethoxycarbonyl-amino]hexanoic acid Openeye Name: 6-amino-2-(N-benzyloxycarbonyl-4-nitro-anilino)hexanoic acid CAS Name: 6-amino-2-(4-nitro-N-phenylmethoxycarbonylanilino)hexanoic acid IUPAC Name: 6-amino-2-(4-nitro-N-phenylmethoxycarbonylanilino)hexanoic acid Traditional Name: 6-amino-2-(N-carbobenzoxy-4-nitro-anilino)hexanoic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(CCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(CCCCN)C(=O)O

InChI

InChI=1S/C20H23N3O6/c21-13-5-4-8-18(19(24)25)22(16-9-11-17(12-10-16)23(27)28)20(26)29-14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14,21H2,(H,24,25)