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

Systemtic Name: 3-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)N(CCC#N)CC3=CC=CO3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)N(CCC#N)CC3=CC=CO3)C(=O)O

InChI

InChI=1S/C19H16N4O5/c20-8-4-9-22(11-13-5-3-10-28-13)16(24)12-23-18(25)15-7-2-1-6-14(15)17(21-23)19(26)27/h1-3,5-7,10H,4,9,11-12H2,(H,26,27)