methyl 4-[5-[(2-azanyl-3-methyl-5-oxidanylidene-1H-imidazol-3-ium-4-ylidene)methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[(2-azanyl-3-methyl-5-oxidanylidene-1H-imidazol-3-ium-4-ylidene)methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(2-amino-5-keto-3-methyl-2-imidazolin-3-ium-4-ylidene)methyl]-2-furyl]benzoic acid methyl ester Formula: C17H16N3O4+ MolecularWeight: 326.32664

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC)N

Isomeric SMILES

C[N+]1=C(NC(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC)N

InChI

InChI=1S/C17H15N3O4/c1-20-13(15(21)19-17(20)18)9-12-7-8-14(24-12)10-3-5-11(6-4-10)16(22)23-2/h3-9H,1-2H3,(H2,18,19,21)/p+1