3-[2-(2-methylpropanoylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-(2-methylpropanoylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(2-methylpropanoylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[(2-methyl-1-oxopropyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(2-methylpropanoylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(isobutyrylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C15H14N3O5- MolecularWeight: 316.28876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C15H15N3O5/c1-8(2)13(20)16-11(19)7-18-14(21)10-6-4-3-5-9(10)12(17-18)15(22)23/h3-6,8H,7H2,1-2H3,(H,22,23)(H,16,19,20)/p-1