methyl 4-[(6-azanyl-4-oxidanylidene-3H-phthalazin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(6-azanyl-4-oxidanylidene-3H-phthalazin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(6-amino-4-oxo-3H-phthalazin-1-yl)methyl]benzoate CAS Name: 4-[(6-amino-4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-amino-4-oxo-3H-phthalazin-1-yl)methyl]benzoate Traditional Name: 4-[(6-amino-4-keto-3H-phthalazin-1-yl)methyl]benzoic acid methyl ester Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2=NNC(=O)C3=C2C=CC(=C3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2=NNC(=O)C3=C2C=CC(=C3)N

InChI

InChI=1S/C17H15N3O3/c1-23-17(22)11-4-2-10(3-5-11)8-15-13-7-6-12(18)9-14(13)16(21)20-19-15/h2-7,9H,8,18H2,1H3,(H,20,21)