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

Systemtic Name: 3-[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C21H18N4O5/c1-30-17-10-5-4-9-16(17)24(12-6-11-22)18(26)13-25-20(27)15-8-3-2-7-14(15)19(23-25)21(28)29/h2-5,7-10H,6,12-13H2,1H3,(H,28,29)