(3-methylquinoxalin-2-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C25H19N3O5S MolecularWeight: 473.50046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O5S/c1-15-21(27-20-10-6-5-9-19(20)26-15)14-33-25(30)18-8-4-3-7-17(18)24(29)16-11-12-23(34-2)22(13-16)28(31)32/h3-13H,14H2,1-2H3