methyl 3-nitro-5-[[[2-nitro-4-(phenylsulfamoyl)phenyl]amino]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[[2-nitro-4-(phenylsulfamoyl)phenyl]amino]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[2-nitro-4-(phenylsulfamoyl)anilino]carbamoyl]benzoate CAS Name: 3-nitro-5-[[[2-nitro-4-(phenylsulfamoyl)phenyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[2-nitro-4-(phenylsulfamoyl)anilino]carbamoyl]benzoate Traditional Name: 3-nitro-5-[[2-nitro-4-(phenylsulfamoyl)anilino]carbamoyl]benzoic acid methyl ester Formula: C21H17N5O9S MolecularWeight: 515.45278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O9S/c1-35-21(28)14-9-13(10-16(11-14)25(29)30)20(27)23-22-18-8-7-17(12-19(18)26(31)32)36(33,34)24-15-5-3-2-4-6-15/h2-12,22,24H,1H3,(H,23,27)