dimethyl 5-[(4-azanyl-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-azanyl-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-amino-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[(4-amino-3-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-amino-3-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-amino-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H15N3O8S MolecularWeight: 409.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O8S/c1-26-15(20)9-5-10(16(21)27-2)7-11(6-9)18-28(24,25)12-3-4-13(17)14(8-12)19(22)23/h3-8,18H,17H2,1-2H3