ethyl 4-(2,4-dimethylphenyl)-2-[(3,5-dinitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2,4-dimethylphenyl)-2-[(3,5-dinitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O7S/c1-4-32-22(27)19-18(17-6-5-12(2)7-13(17)3)11-33-21(19)23-20(26)14-8-15(24(28)29)10-16(9-14)25(30)31/h5-11H,4H2,1-3H3,(H,23,26)