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

Systemtic Name: (7-azanyl-3-bromanyl-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(3,5-dinitrophenyl)carbonylsulfanyl-2-methyl-propanoate Openeye Name: (7-amino-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-amino-3-bromo-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (7-amino-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-amino-3-bromo-2,2-dimethyl-6-nitro-chroman-4-yl) ester Formula: C22H21BrN4O10S MolecularWeight: 613.39194

Click to see the large picture

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-])N)(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-])N)(C)C)Br

InChI

InChI=1S/C22H21BrN4O10S/c1-10(9-38-21(29)11-4-12(25(30)31)6-13(5-11)26(32)33)20(28)36-18-14-7-16(27(34)35)15(24)8-17(14)37-22(2,3)19(18)23/h4-8,10,18-19H,9,24H2,1-3H3