methyl 3-nitro-5-[(4-sulfamoylphenyl)methylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(4-sulfamoylphenyl)methylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(4-sulfamoylphenyl)methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(4-sulfamoylphenyl)methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[(4-sulfamoylbenzyl)carbamoyl]benzoic acid methyl ester Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O7S/c1-26-16(21)12-6-11(7-13(8-12)19(22)23)15(20)18-9-10-2-4-14(5-3-10)27(17,24)25/h2-8H,9H2,1H3,(H,18,20)(H2,17,24,25)