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

Systemtic Name: 2-[4-[(E)-(2-azanyl-3-methyl-5-oxidanylidene-1H-imidazol-3-ium-4-ylidene)methyl]-2-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(E)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[4-[(E)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]-2-methoxyphenoxy]acetate IUPAC Name: 2-[4-[(E)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[4-[(E)-(2-amino-5-keto-3-methyl-2-imidazolin-3-ium-4-ylidene)methyl]-2-methoxy-phenoxy]acetate Formula: C14H15N3O5 MolecularWeight: 305.286

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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)/b9-5+