3-acetyloxy-4-[dimethyl-[[6-[1-(4-nitrophenyl)propan-2-yloxy]-6-oxidanylidene-hexyl]carbamoyl]azaniumyl]butanoate

Systemtic Name: 3-acetyloxy-4-[dimethyl-[[6-[1-(4-nitrophenyl)propan-2-yloxy]-6-oxidanylidene-hexyl]carbamoyl]azaniumyl]butanoate Openeye Name: 3-acetoxy-4-[dimethyl-[[6-[1-methyl-2-(4-nitrophenyl)ethoxy]-6-oxo-hexyl]carbamoyl]ammonio]butanoate CAS Name: 3-acetyloxy-4-[dimethyl-[[[6-[1-(4-nitrophenyl)propan-2-yloxy]-6-oxohexyl]amino]-oxomethyl]ammonio]butanoate IUPAC Name: 3-acetyloxy-4-[dimethyl-[[6-[1-(4-nitrophenyl)propan-2-yloxy]-6-oxohexyl]carbamoyl]azaniumyl]butanoate Traditional Name: 3-acetoxy-4-[[6-keto-6-[1-methyl-2-(4-nitrophenyl)ethoxy]hexyl]carbamoyl-dimethyl-ammonio]butyrate Formula: C24H35N3O9 MolecularWeight: 509.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCCCCNC(=O)[N+](C)(C)CC(CC(=O)[O-])OC(=O)C

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCCCCNC(=O)[N+](C)(C)CC(CC(=O)[O-])OC(=O)C

InChI

InChI=1S/C24H35N3O9/c1-17(14-19-9-11-20(12-10-19)26(33)34)35-23(31)8-6-5-7-13-25-24(32)27(3,4)16-21(15-22(29)30)36-18(2)28/h9-12,17,21H,5-8,13-16H2,1-4H3,(H-,25,29,30,32)