diethyl 3-azanylidene-2-methyl-2-[5-methylimino-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]butanedioate

Systemtic Name: diethyl 3-azanylidene-2-methyl-2-[5-methylimino-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]butanedioate Openeye Name: diethyl 2-(2-benzyl-5-methylimino-3-oxo-pyridazin-4-yl)-3-imino-2-methyl-butanedioate CAS Name: 3-imino-2-methyl-2-[5-methylimino-3-oxo-2-(phenylmethyl)-4-pyridazinyl]butanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-benzyl-5-methylimino-3-oxopyridazin-4-yl)-3-imino-2-methylbutanedioate Traditional Name: 2-(2-benzyl-3-keto-5-methylimino-pyridazin-4-yl)-3-imino-2-methyl-succinic acid diethyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=N)C(C)(C1C(=NC)C=NN(C1=O)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=N)C(C)(C1C(=NC)C=NN(C1=O)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H26N4O5/c1-5-29-19(27)17(22)21(3,20(28)30-6-2)16-15(23-4)12-24-25(18(16)26)13-14-10-8-7-9-11-14/h7-12,16,22H,5-6,13H2,1-4H3