3-[2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C25H18N4O7 MolecularWeight: 486.43302

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

InChI

InChI=1S/C25H18N4O7/c30-21(12-29-24(32)16-6-2-1-5-15(16)22(28-29)25(33)34)27-18-8-4-3-7-17(18)23(31)26-14-9-10-19-20(11-14)36-13-35-19/h1-11H,12-13H2,(H,26,31)(H,27,30)(H,33,34)