4-(4-azanylphenoxy)aniline; (carboxyoxyamino) hydrogen carbonate

Systemtic Name: 4-(4-azanylphenoxy)aniline; (carboxyoxyamino) hydrogen carbonate Openeye Name: 4-(4-aminophenoxy)aniline; (carboxyoxyamino) hydrogen carbonate CAS Name: 4-(4-aminophenoxy)aniline; carbonic acid (carboxyoxyamino) ester IUPAC Name: 4-(4-aminophenoxy)aniline; (carboxyoxyamino) hydrogen carbonate Traditional Name: [4-(4-aminophenoxy)phenyl]amine; carbonic acid (carboxyoxyamino) ester Formula: C16H18N4O13 MolecularWeight: 474.33312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C(=O)(O)ONOC(=O)O.C(=O)(O)ONOC(=O)O

Isomeric SMILES

C1=CC(=CC=C1N)OC2=CC=C(C=C2)N.C(=O)(O)ONOC(=O)O.C(=O)(O)ONOC(=O)O

InChI

InChI=1S/C12H12N2O.2C2H3NO6/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;2*4-1(5)8-3-9-2(6)7/h1-8H,13-14H2;2*3H,(H,4,5)(H,6,7)