methyl 3-[(3,5-dinitrophenyl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(3,5-dinitrophenyl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(3,5-dinitrobenzoyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3,5-dinitrobenzoyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(3,5-dinitrobenzoyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C13H9N3O7S MolecularWeight: 351.29146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O7S/c1-23-13(18)11-10(2-3-24-11)14-12(17)7-4-8(15(19)20)6-9(5-7)16(21)22/h2-6H,1H3,(H,14,17)