methyl 3,4-bis(diethylcarbamoyloxy)-2-nitro-5-(phenylsulfonyl)benzoate

Systemtic Name: methyl 3,4-bis(diethylcarbamoyloxy)-2-nitro-5-(phenylsulfonyl)benzoate Openeye Name: methyl 5-(benzenesulfonyl)-3,4-bis(diethylcarbamoyloxy)-2-nitro-benzoate CAS Name: 5-(benzenesulfonyl)-3,4-bis[diethylamino(oxo)methoxy]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-(benzenesulfonyl)-3,4-bis(diethylcarbamoyloxy)-2-nitrobenzoate Traditional Name: 5-besyl-3,4-bis(diethylcarbamoyloxy)-2-nitro-benzoic acid methyl ester Formula: C24H29N3O10S MolecularWeight: 551.56616

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)OC1=C(C=C(C(=C1OC(=O)N(CC)CC)[N+](=O)[O-])C(=O)OC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)OC1=C(C=C(C(=C1OC(=O)N(CC)CC)[N+](=O)[O-])C(=O)OC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H29N3O10S/c1-6-25(7-2)23(29)36-20-18(38(33,34)16-13-11-10-12-14-16)15-17(22(28)35-5)19(27(31)32)21(20)37-24(30)26(8-3)9-4/h10-15H,6-9H2,1-5H3