(7-acetamido-3-bromanyl-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(3,5-dinitrophenyl)carbonylsulfanyl-2-methyl-propanoate

Systemtic Name: (7-acetamido-3-bromanyl-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(3,5-dinitrophenyl)carbonylsulfanyl-2-methyl-propanoate Openeye Name: (7-acetamido-3-bromo-2,2-dimethyl-6-nitro-chroman-4-yl) 3-(3,5-dinitrobenzoyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[[(3,5-dinitrophenyl)-oxomethyl]thio]-2-methylpropanoic acid (7-acetamido-3-bromo-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (7-acetamido-3-bromo-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(3,5-dinitrobenzoyl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(3,5-dinitrobenzoyl)thio]-2-methyl-propionic acid (7-acetamido-3-bromo-2,2-dimethyl-6-nitro-chroman-4-yl) ester Formula: C24H23BrN4O11S MolecularWeight: 655.42862

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC2C(C(OC3=CC(=C(C=C23)[N+](=O)[O-])NC(=O)C)(C)C)Br

Isomeric SMILES

CC(CSC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC2C(C(OC3=CC(=C(C=C23)[N+](=O)[O-])NC(=O)C)(C)C)Br

InChI

InChI=1S/C24H23BrN4O11S/c1-11(10-41-23(32)13-5-14(27(33)34)7-15(6-13)28(35)36)22(31)39-20-16-8-18(29(37)38)17(26-12(2)30)9-19(16)40-24(3,4)21(20)25/h5-9,11,20-21H,10H2,1-4H3,(H,26,30)