methyl 3-[[(3-methylsulfonylphenyl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(3-methylsulfonylphenyl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(3-methylsulfonylbenzoyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(3-methylsulfonylphenyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(3-methylsulfonylbenzoyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(3-mesylbenzoyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H15N3O8S MolecularWeight: 421.3813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O8S/c1-28-17(23)12-6-11(7-13(8-12)20(24)25)16(22)19-18-15(21)10-4-3-5-14(9-10)29(2,26)27/h3-9H,1-2H3,(H,18,21)(H,19,22)