[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32)C

InChI

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