ethyl 2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-3,5-dinitro-benzoyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3,5-dinitrobenzoyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3,5-dinitro-benzoyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C18H12ClN3O7S MolecularWeight: 449.82178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H12ClN3O7S/c1-2-29-18(24)14-10-5-3-4-6-13(10)30-17(14)20-16(23)9-7-11(21(25)26)15(19)12(8-9)22(27)28/h3-8H,2H2,1H3,(H,20,23)