methyl 4-[(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)methyl]benzoate Openeye Name: methyl 4-[(4-carbamoyl-1-oxo-phthalazin-2-yl)methyl]benzoate CAS Name: 4-[(4-carbamoyl-1-oxo-2-phthalazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-carbamoyl-1-oxophthalazin-2-yl)methyl]benzoate Traditional Name: 4-[(4-carbamoyl-1-keto-phthalazin-2-yl)methyl]benzoic acid methyl ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C18H15N3O4/c1-25-18(24)12-8-6-11(7-9-12)10-21-17(23)14-5-3-2-4-13(14)15(20-21)16(19)22/h2-9H,10H2,1H3,(H2,19,22)