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

Systemtic Name: butyl 2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C20H16ClN3O7S MolecularWeight: 477.87494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O7S/c1-2-3-8-31-20(26)16-12-6-4-5-7-15(12)32-19(16)22-18(25)11-9-13(23(27)28)17(21)14(10-11)24(29)30/h4-7,9-10H,2-3,8H2,1H3,(H,22,25)