diethylazanide; methyl (3Z)-5-methyl-4-oxidanylidene-3-(phenylazanylmethylidene)cyclohexa-1,5-diene-1-carboxylate; zirconium(2+)

Systemtic Name: diethylazanide; methyl (3Z)-5-methyl-4-oxidanylidene-3-(phenylazanylmethylidene)cyclohexa-1,5-diene-1-carboxylate; zirconium(2+) Openeye Name: diethylazanide; methyl (3Z)-3-(anilinomethylene)-5-methyl-4-oxo-cyclohexa-1,5-diene-1-carboxylate; zirconium(2+) CAS Name: (3Z)-3-(anilinomethylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid methyl ester; diethylazanide; zirconium(2+) IUPAC Name: diethylazanide; methyl (3Z)-3-(anilinomethylidene)-5-methyl-4-oxocyclohexa-1,5-diene-1-carboxylate; zirconium(2+) Traditional Name: (3Z)-3-(anilinomethylene)-4-keto-5-methyl-cyclohexa-1,5-diene-1-carboxylic acid methyl ester; diethylazanide; zirconium(2+) Formula: C24H35N3O3Zr MolecularWeight: 504.777

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Descriptors Computed from Structure

Canonical SMILES:

CC[N-]CC.CC[N-]CC.CC1=CC(=CC(=CNC2=CC=CC=C2)C1=O)C(=O)OC.[Zr+2]

Isomeric SMILES

CC[N-]CC.CC[N-]CC.CC1=CC(=C/C(=C/NC2=CC=CC=C2)/C1=O)C(=O)OC.[Zr+2]

InChI

InChI=1S/C16H15NO3.2C4H10N.Zr/c1-11-8-12(16(19)20-2)9-13(15(11)18)10-17-14-6-4-3-5-7-14;2*1-3-5-4-2;/h3-10,17H,1-2H3;2*3-4H2,1-2H3;/q;2*-1;+2/b13-10-;;;