3-azanyl-3,4-bis(carboxymethyl)-4-[carboxymethyl-[(4-nitrophenyl)methyl]amino]hexanedioic acid

Systemtic Name: 3-azanyl-3,4-bis(carboxymethyl)-4-[carboxymethyl-[(4-nitrophenyl)methyl]amino]hexanedioic acid Openeye Name: 3-amino-3,4-bis(carboxymethyl)-4-[carboxymethyl-[(4-nitrophenyl)methyl]amino]hexanedioic acid CAS Name: 3-amino-3,4-bis(carboxymethyl)-4-[carboxymethyl-[(4-nitrophenyl)methyl]amino]hexanedioic acid IUPAC Name: 3-amino-3,4-bis(carboxymethyl)-4-[carboxymethyl-[(4-nitrophenyl)methyl]amino]hexanedioic acid Traditional Name: 3-amino-3,4-bis(carboxymethyl)-4-[carboxymethyl-(4-nitrobenzyl)amino]adipic acid Formula: C19H23N3O12 MolecularWeight: 485.39882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC(=O)O)C(CC(=O)O)(CC(=O)O)C(CC(=O)O)(CC(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN(CC(=O)O)C(CC(=O)O)(CC(=O)O)C(CC(=O)O)(CC(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O12/c20-18(5-13(23)24,6-14(25)26)19(7-15(27)28,8-16(29)30)21(10-17(31)32)9-11-1-3-12(4-2-11)22(33)34/h1-4H,5-10,20H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)