methyl 5-(diethylcarbamoyl)-2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O8S MolecularWeight: 464.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C19H20N4O8S/c1-5-21(6-2)18(25)15-10(3)14(19(26)31-4)17(32-15)20-16(24)11-7-12(22(27)28)9-13(8-11)23(29)30/h7-9H,5-6H2,1-4H3,(H,20,24)