[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O7S/c1-8(2)15-13(17)9(3)23-14(18)10-5-6-12(24(4,21)22)11(7-10)16(19)20/h5-9H,1-4H3,(H,15,17)