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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C18H13N3O6/c22-15(19-10-5-6-13-14(7-10)27-9-26-13)8-21-17(23)12-4-2-1-3-11(12)16(20-21)18(24)25/h1-7H,8-9H2,(H,19,22)(H,24,25)