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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-3-10(4-2)17-13(20)9-19-15(21)12-8-6-5-7-11(12)14(18-19)16(22)23/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)(H,22,23)