ethyl 4-(2-phthalazin-2-ium-2-ylethanoylamino)benzoate

Systemtic Name: ethyl 4-(2-phthalazin-2-ium-2-ylethanoylamino)benzoate Openeye Name: ethyl 4-[(2-phthalazin-2-ium-2-ylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(2-phthalazin-2-iumyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-phthalazin-2-ium-2-ylacetyl)amino]benzoate Traditional Name: 4-[(2-phthalazin-2-ium-2-ylacetyl)amino]benzoic acid ethyl ester Formula: C19H18N3O3+ MolecularWeight: 336.36452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C19H17N3O3/c1-2-25-19(24)14-7-9-17(10-8-14)21-18(23)13-22-12-16-6-4-3-5-15(16)11-20-22/h3-12H,2,13H2,1H3/p+1