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

Systemtic Name: ethyl 2-[3-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-(2-methoxyanilino)-2-oxo-ethyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(2-methoxyanilino)-2-oxoethyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[2-keto-2-(o-anisidino)ethyl]phthalazin-1-yl]acetic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3OC

InChI

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