methyl 2-[3-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: methyl 2-[3-[2-(4-ethoxyanilino)-2-oxo-ethyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxo-1-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[2-(4-ethoxyanilino)-2-oxoethyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[2-keto-2-(p-phenetidino)ethyl]phthalazin-1-yl]acetic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)OC

InChI

InChI=1S/C21H21N3O5/c1-3-29-15-10-8-14(9-11-15)22-19(25)13-24-21(27)17-7-5-4-6-16(17)18(23-24)12-20(26)28-2/h4-11H,3,12-13H2,1-2H3,(H,22,25)