[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C21H23N3O9S MolecularWeight: 493.48702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H23N3O9S/c1-13(2)20(23-34(29,30)16-6-7-17-18(11-16)32-9-8-31-17)21(26)33-12-19(25)22-14-4-3-5-15(10-14)24(27)28/h3-7,10-11,13,20,23H,8-9,12H2,1-2H3,(H,22,25)