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

Systemtic Name: ethyl 2-[2-[(Z)-(2-azanyl-3-methyl-5-oxidanylidene-1H-imidazol-3-ium-4-ylidene)methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[2-[(Z)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]phenoxy]acetate CAS Name: 2-[2-[(Z)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(Z)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]phenoxy]acetate Traditional Name: 2-[2-[(Z)-(2-amino-5-keto-3-methyl-2-imidazolin-3-ium-4-ylidene)methyl]phenoxy]acetic acid ethyl ester Formula: C15H18N3O4+ MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC=C1C=C2C(=O)NC(=[N+]2C)N

Isomeric SMILES

CCOC(=O)COC1=CC=CC=C1/C=C\2/C(=O)NC(=[N+]2C)N

InChI

InChI=1S/C15H17N3O4/c1-3-21-13(19)9-22-12-7-5-4-6-10(12)8-11-14(20)17-15(16)18(11)2/h4-8H,3,9H2,1-2H3,(H2,16,17,20)/p+1/b11-8-