2-[(5-chloranyl-2-nitro-phenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoic acid

Systemtic Name: 2-[(5-chloranyl-2-nitro-phenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoic acid Openeye Name: 2-[(5-chloro-2-nitro-phenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoic acid CAS Name: 2-[(5-chloro-2-nitrophenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoic acid IUPAC Name: 2-[(5-chloro-2-nitrophenyl)sulfonyl-(3-methylbut-2-enyl)amino]propanoic acid Traditional Name: 2-[(5-chloro-2-nitro-phenyl)sulfonyl-(3-methylbut-2-enyl)amino]propionic acid Formula: C14H17ClN2O6S MolecularWeight: 376.81258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O6S/c1-9(2)6-7-16(10(3)14(18)19)24(22,23)13-8-11(15)4-5-12(13)17(20)21/h4-6,8,10H,7H2,1-3H3,(H,18,19)