3-[1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C16H16N4O5 MolecularWeight: 344.32204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C16H16N4O5/c1-8(13(21)18-16(25)17-9-6-7-9)20-14(22)11-5-3-2-4-10(11)12(19-20)15(23)24/h2-5,8-9H,6-7H2,1H3,(H,23,24)(H2,17,18,21,25)