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

Systemtic Name: ethyl 2-[3-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-(2-methylanilino)-2-oxo-ethyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(2-methylanilino)-2-oxoethyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[2-keto-2-(o-toluidino)ethyl]phthalazin-1-yl]acetic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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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=C3C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H21N3O4/c1-3-28-20(26)12-18-15-9-5-6-10-16(15)21(27)24(23-18)13-19(25)22-17-11-7-4-8-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,22,25)