2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-3,4,5-trimethoxy-benzoic acid

Systemtic Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-3,4,5-trimethoxy-benzoic acid Openeye Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-3,4,5-trimethoxy-benzoic acid CAS Name: 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-3,4,5-trimethoxybenzoic acid IUPAC Name: 2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-3,4,5-trimethoxybenzoic acid Traditional Name: 2-[(2,3-dimethyl-5-nitro-phenyl)sulfonylamino]-3,4,5-trimethoxy-benzoic acid Formula: C18H20N2O9S MolecularWeight: 440.4244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=C(C(=C(C=C2C(=O)O)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=C(C(=C(C=C2C(=O)O)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O9S/c1-9-6-11(20(23)24)7-14(10(9)2)30(25,26)19-15-12(18(21)22)8-13(27-3)16(28-4)17(15)29-5/h6-8,19H,1-5H3,(H,21,22)