diethyl 2,5-bis[(3,5-dinitrophenyl)carbonylamino]thiophene-3,4-dicarboxylate

Systemtic Name: diethyl 2,5-bis[(3,5-dinitrophenyl)carbonylamino]thiophene-3,4-dicarboxylate Openeye Name: diethyl 2,5-bis[(3,5-dinitrobenzoyl)amino]thiophene-3,4-dicarboxylate CAS Name: 2,5-bis[[(3,5-dinitrophenyl)-oxomethyl]amino]thiophene-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis[(3,5-dinitrobenzoyl)amino]thiophene-3,4-dicarboxylate Traditional Name: 2,5-bis[(3,5-dinitrobenzoyl)amino]thiophene-3,4-dicarboxylic acid diethyl ester Formula: C24H18N6O14S MolecularWeight: 646.49652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C(=O)OCC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H18N6O14S/c1-3-43-23(33)17-18(24(34)44-4-2)22(26-20(32)12-7-15(29(39)40)10-16(8-12)30(41)42)45-21(17)25-19(31)11-5-13(27(35)36)9-14(6-11)28(37)38/h5-10H,3-4H2,1-2H3,(H,25,31)(H,26,32)