[3-(nitrooxymethyl)phenyl]methyl 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [3-(nitrooxymethyl)phenyl]methyl 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [3-(nitrooxymethyl)phenyl]methyl 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [3-(nitrooxymethyl)phenyl]methyl ester IUPAC Name: [3-(nitrooxymethyl)phenyl]methyl 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [3-(nitrooxymethyl)benzyl] ester Formula: C15H13ClN2O7S MolecularWeight: 400.79092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CO[N+](=O)[O-])COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)CO[N+](=O)[O-])COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C15H13ClN2O7S/c16-13-5-4-12(7-14(13)26(17,22)23)15(19)24-8-10-2-1-3-11(6-10)9-25-18(20)21/h1-7H,8-9H2,(H2,17,22,23)