2-[4-[(E)-(2-azanyl-3-methyl-5-oxidanylidene-1H-imidazol-3-ium-4-ylidene)methyl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-(2-azanyl-3-methyl-5-oxidanylidene-1H-imidazol-3-ium-4-ylidene)methyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-(2-amino-5-keto-3-methyl-2-imidazolin-3-ium-4-ylidene)methyl]-2-methoxy-phenoxy]acetic acid Formula: C14H16N3O5+ MolecularWeight: 306.29394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C1=CC2=CC(=C(C=C2)OCC(=O)O)OC)N

Isomeric SMILES

C[N+]\1=C(NC(=O)/C1=C\C2=CC(=C(C=C2)OCC(=O)O)OC)N

InChI

InChI=1S/C14H15N3O5/c1-17-9(13(20)16-14(17)15)5-8-3-4-10(11(6-8)21-2)22-7-12(18)19/h3-6H,7H2,1-2H3,(H3,15,16,18,19,20)/p+1/b9-5+