methyl 4-[(2,3-dimethylphenyl)sulfamoyl]-3-nitro-benzoate

Systemtic Name: methyl 4-[(2,3-dimethylphenyl)sulfamoyl]-3-nitro-benzoate Openeye Name: methyl 4-[(2,3-dimethylphenyl)sulfamoyl]-3-nitro-benzoate CAS Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2,3-dimethylphenyl)sulfamoyl]-3-nitrobenzoate Traditional Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-3-nitro-benzoic acid methyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C16H16N2O6S/c1-10-5-4-6-13(11(10)2)17-25(22,23)15-8-7-12(16(19)24-3)9-14(15)18(20)21/h4-9,17H,1-3H3