3-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(1,2-dimethylpropylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(1,2-dimethylpropylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CC(C)C(C)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C16H19N3O4/c1-9(2)10(3)17-13(20)8-19-15(21)12-7-5-4-6-11(12)14(18-19)16(22)23/h4-7,9-10H,8H2,1-3H3,(H,17,20)(H,22,23)