2-[5-(4-aminophenyl)-2-azanyl-1-(carboxymethyloxy)cyclohexa-2,4-dien-1-yl]oxyethanoic acid

Systemtic Name: 2-[5-(4-aminophenyl)-2-azanyl-1-(carboxymethyloxy)cyclohexa-2,4-dien-1-yl]oxyethanoic acid Openeye Name: 2-[2-amino-5-(4-aminophenyl)-1-(carboxymethyloxy)cyclohexa-2,4-dien-1-yl]oxyacetic acid CAS Name: 2-[[2-amino-5-(4-aminophenyl)-1-(carboxymethyloxy)-1-cyclohexa-2,4-dienyl]oxy]acetic acid IUPAC Name: 2-[2-amino-5-(4-aminophenyl)-1-(carboxymethyloxy)cyclohexa-2,4-dien-1-yl]oxyacetic acid Traditional Name: 2-[2-amino-5-(4-aminophenyl)-1-(carboxymethyloxy)cyclohexa-2,4-dien-1-yl]oxyacetic acid Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=C(C1(OCC(=O)O)OCC(=O)O)N)C2=CC=C(C=C2)N

Isomeric SMILES

C1C(=CC=C(C1(OCC(=O)O)OCC(=O)O)N)C2=CC=C(C=C2)N

InChI

InChI=1S/C16H18N2O6/c17-12-4-1-10(2-5-12)11-3-6-13(18)16(7-11,23-8-14(19)20)24-9-15(21)22/h1-6H,7-9,17-18H2,(H,19,20)(H,21,22)