propan-2-yl 3-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: propan-2-yl 3-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]propanoate Openeye Name: isopropyl 3-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]propionic acid isopropyl ester Formula: C13H17ClN2O6S MolecularWeight: 364.80188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCC(=O)OC(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCC(=O)OC(C)C)Cl

InChI

InChI=1S/C13H17ClN2O6S/c1-8(2)22-13(17)4-5-15-23(20,21)10-6-11(14)9(3)12(7-10)16(18)19/h6-8,15H,4-5H2,1-3H3