(4-nitrosooxan-4-yl) 4-[2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoyloxy]butanoate

Systemtic Name: (4-nitrosooxan-4-yl) 4-[2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoyloxy]butanoate Openeye Name: (4-nitrosotetrahydropyran-4-yl) 4-[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]oxybutanoate CAS Name: 4-[2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]-1-oxoethoxy]butanoic acid (4-nitroso-4-oxanyl) ester IUPAC Name: (4-nitrosooxan-4-yl) 4-[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]oxybutanoate Traditional Name: 4-[2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)acetyl]oxybutyric acid (4-nitrosotetrahydropyran-4-yl) ester Formula: C24H28N2O7 MolecularWeight: 456.48832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OCCCC(=O)OC3(CCOCC3)N=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OCCCC(=O)OC3(CCOCC3)N=O

InChI

InChI=1S/C24H28N2O7/c1-17-5-7-18(8-6-17)23(29)20-10-9-19(26(20)2)16-22(28)32-13-3-4-21(27)33-24(25-30)11-14-31-15-12-24/h5-10H,3-4,11-16H2,1-2H3