2,2-dimethyl-6-oxidanylidene-5-[(Z)-3-(2-phenylhydrazinyl)but-2-enoyl]-1,3-dioxin-4-olate; phenylazanylazanium

Systemtic Name: 2,2-dimethyl-6-oxidanylidene-5-[(Z)-3-(2-phenylhydrazinyl)but-2-enoyl]-1,3-dioxin-4-olate; phenylazanylazanium Openeye Name: anilinoammonium; 2,2-dimethyl-6-oxo-5-[(Z)-3-(2-phenylhydrazino)but-2-enoyl]-1,3-dioxin-4-olate CAS Name: anilinoammonium; 2,2-dimethyl-6-oxo-5-[(Z)-1-oxo-3-(phenylhydrazo)but-2-enyl]-1,3-dioxin-4-olate IUPAC Name: anilinoazanium; 2,2-dimethyl-6-oxo-5-[(Z)-3-(2-phenylhydrazinyl)but-2-enoyl]-1,3-dioxin-4-olate Traditional Name: anilinoammonium; 6-keto-2,2-dimethyl-5-[(Z)-3-(N'-phenylhydrazino)but-2-enoyl]-1,3-dioxin-4-olate Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=C(OC(OC1=O)(C)C)[O-])NNC2=CC=CC=C2.C1=CC=C(C=C1)N[NH3+]

Isomeric SMILES

C/C(=C/C(=O)C1=C(OC(OC1=O)(C)C)[O-])/NNC2=CC=CC=C2.C1=CC=C(C=C1)N[NH3+]

InChI

InChI=1S/C16H18N2O5.C6H8N2/c1-10(17-18-11-7-5-4-6-8-11)9-12(19)13-14(20)22-16(2,3)23-15(13)21;7-8-6-4-2-1-3-5-6/h4-9,17-18,20H,1-3H3;1-5,8H,7H2/b10-9-;