3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-furylmethyl(methyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-furanylmethyl(methyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[2-furfuryl(methyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CN(CC1=CC=CO1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C17H15N3O5/c1-19(9-11-5-4-8-25-11)14(21)10-20-16(22)13-7-3-2-6-12(13)15(18-20)17(23)24/h2-8H,9-10H2,1H3,(H,23,24)