methyl 4-[2-(4-methyl-2-oxidanidyl-1H-phthalazin-2-ium-2-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-methyl-2-oxidanidyl-1H-phthalazin-2-ium-2-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-methyl-2-oxido-1H-phthalazin-2-ium-2-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-methyl-2-oxido-1H-phthalazin-2-ium-2-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methyl-2-oxido-1H-phthalazin-2-ium-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-methyl-2-oxido-1H-phthalazin-2-ium-2-yl)acetyl]amino]benzoic acid methyl ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](CC2=CC=CC=C12)(CC(=O)NC3=CC=C(C=C3)C(=O)OC)[O-]

Isomeric SMILES

CC1=N[N+](CC2=CC=CC=C12)(CC(=O)NC3=CC=C(C=C3)C(=O)OC)[O-]

InChI

InChI=1S/C19H19N3O4/c1-13-17-6-4-3-5-15(17)11-22(25,21-13)12-18(23)20-16-9-7-14(8-10-16)19(24)26-2/h3-10H,11-12H2,1-2H3,(H,20,23)