3-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2-furylmethylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(2-furanylmethylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2-furfurylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CC=CO3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CC=CO3)C(=O)O

InChI

InChI=1S/C16H13N3O5/c20-13(17-8-10-4-3-7-24-10)9-19-15(21)12-6-2-1-5-11(12)14(18-19)16(22)23/h1-7H,8-9H2,(H,17,20)(H,22,23)