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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O9S/c1-14(21(26)23-16-5-2-3-6-17(16)24(27)28)33-20(25)7-4-10-22-34(29,30)15-8-9-18-19(13-15)32-12-11-31-18/h2-3,5-6,8-9,13-14,22H,4,7,10-12H2,1H3,(H,23,26)