2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-benzoic acid

Systemtic Name: 2-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-benzoic acid Openeye Name: 2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-benzoic acid CAS Name: 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-3-methylbenzoic acid IUPAC Name: 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-3-methylbenzoic acid Traditional Name: 2-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-3-methyl-benzoic acid Formula: C15H13ClN2O6S MolecularWeight: 384.79152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl)C(=O)O

InChI

InChI=1S/C15H13ClN2O6S/c1-8-4-3-5-11(15(19)20)14(8)17-25(23,24)10-6-12(16)9(2)13(7-10)18(21)22/h3-7,17H,1-2H3,(H,19,20)