2-azanyl-3-[1,2-bis(carboxymethylamino)cyclohexyl]-2-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-azanyl-3-[1,2-bis(carboxymethylamino)cyclohexyl]-2-(4-nitrophenyl)propanoic acid Openeye Name: 2-amino-3-[1,2-bis(carboxymethylamino)cyclohexyl]-2-(4-nitrophenyl)propanoic acid CAS Name: 2-amino-3-[1,2-bis(carboxymethylamino)cyclohexyl]-2-(4-nitrophenyl)propanoic acid IUPAC Name: 2-amino-3-[1,2-bis(carboxymethylamino)cyclohexyl]-2-(4-nitrophenyl)propanoic acid Traditional Name: 2-amino-3-[1,2-bis(carboxymethylamino)cyclohexyl]-2-(4-nitrophenyl)propionic acid Formula: C19H26N4O8 MolecularWeight: 438.43174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NCC(=O)O)(CC(C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)O)N)NCC(=O)O

Isomeric SMILES

C1CCC(C(C1)NCC(=O)O)(CC(C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)O)N)NCC(=O)O

InChI

InChI=1S/C19H26N4O8/c20-19(17(28)29,12-4-6-13(7-5-12)23(30)31)11-18(22-10-16(26)27)8-2-1-3-14(18)21-9-15(24)25/h4-7,14,21-22H,1-3,8-11,20H2,(H,24,25)(H,26,27)(H,28,29)