ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(3,5-dinitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(3,5-dinitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H17N3O9S MolecularWeight: 499.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2COC3=CC=CC=C3O2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2COC3=CC=CC=C3O2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O9S/c1-2-32-22(27)19-15(18-10-33-16-5-3-4-6-17(16)34-18)11-35-21(19)23-20(26)12-7-13(24(28)29)9-14(8-12)25(30)31/h3-9,11,18H,2,10H2,1H3,(H,23,26)