dimethyl 5-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-nitrobenzothiophene-2-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-nitro-1-benzothiophene-2-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-nitrobenzothiophene-2-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H14N2O7S MolecularWeight: 414.38866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H14N2O7S/c1-27-18(23)11-5-12(19(24)28-2)7-13(6-11)20-17(22)16-9-10-8-14(21(25)26)3-4-15(10)29-16/h3-9H,1-2H3,(H,20,22)