3-(2-chloranyl-5-nitro-phenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(2-chloro-5-nitro-phenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid CAS Name: 3-(2-chloro-5-nitrophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(2-chloro-5-nitrophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(2-chloro-5-nitro-phenyl)-3-[(4-methoxyphenyl)sulfonylamino]propionic acid Formula: C16H15ClN2O7S MolecularWeight: 414.8175

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O7S/c1-26-11-3-5-12(6-4-11)27(24,25)18-15(9-16(20)21)13-8-10(19(22)23)2-7-14(13)17/h2-8,15,18H,9H2,1H3,(H,20,21)