4-oxidanylidene-3-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]phthalazine-1-carboxylic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H17N3O4/c1-10-8-14(11(2)20(10)3)15(22)9-21-17(23)13-7-5-4-6-12(13)16(19-21)18(24)25/h4-8H,9H2,1-3H3,(H,24,25)