[7-[[3-(2,4-dimethyl-6-propanoyloxy-phenyl)-3-methyl-butanoyl]-methyl-azaniumylidene]phenoxazin-2-yl]azanide

Systemtic Name: [7-[[3-(2,4-dimethyl-6-propanoyloxy-phenyl)-3-methyl-butanoyl]-methyl-azaniumylidene]phenoxazin-2-yl]azanide Openeye Name: [7-[[3-(2,4-dimethyl-6-propanoyloxy-phenyl)-3-methyl-butanoyl]-methyl-iminio]phenoxazin-2-yl]azanide CAS Name: [7-[[3-[2,4-dimethyl-6-(1-oxopropoxy)phenyl]-3-methyl-1-oxobutyl]-methyliminio]-2-phenoxazinyl]azanide IUPAC Name: [7-[[3-(2,4-dimethyl-6-propanoyloxyphenyl)-3-methylbutanoyl]-methylazaniumylidene]phenoxazin-2-yl]azanide Traditional Name: [7-[[3-(2,4-dimethyl-6-propionyloxy-phenyl)-3-methyl-butanoyl]-methyl-iminio]phenoxazin-2-yl]azanide Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=CC(=C1C(C)(C)CC(=O)[N+](=C2C=CC3=NC4=C(C=CC(=C4)[NH-])OC3=C2)C)C)C

Isomeric SMILES

CCC(=O)OC1=CC(=CC(=C1C(C)(C)CC(=O)[N+](=C2C=CC3=NC4=C(C=CC(=C4)[NH-])OC3=C2)C)C)C

InChI

InChI=1S/C29H31N3O4/c1-7-27(34)36-25-13-17(2)12-18(3)28(25)29(4,5)16-26(33)32(6)20-9-10-21-24(15-20)35-23-11-8-19(30)14-22(23)31-21/h8-15,30H,7,16H2,1-6H3