methyl 3-[2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(4-carbamoyl-1-oxo-2-phthalazinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoyl-1-oxophthalazin-2-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetyl]amino]benzoic acid methyl ester Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5/c1-28-19(27)11-5-4-6-12(9-11)21-15(24)10-23-18(26)14-8-3-2-7-13(14)16(22-23)17(20)25/h2-9H,10H2,1H3,(H2,20,25)(H,21,24)