2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-2-nitro-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-2-nitro-3-phenyl-propanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-2-nitro-3-phenyl-propanoic acid CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-2-nitro-3-phenylpropanoic acid IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-2-nitro-3-phenylpropanoic acid Traditional Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-2-nitro-3-phenyl-propionic acid Formula: C17H21N3O10 MolecularWeight: 427.36274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)(N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)(N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O10/c21-13(22)9-18(10-14(23)24)6-7-19(11-15(25)26)17(16(27)28,20(29)30)8-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)