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

Systemtic Name: ethyl 2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-3,5-dinitro-benzoyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-3,5-dinitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3,5-dinitro-benzoyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H14ClN3O7S MolecularWeight: 475.85906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O7S/c1-2-31-20(26)16-13(11-6-4-3-5-7-11)10-32-19(16)22-18(25)12-8-14(23(27)28)17(21)15(9-12)24(29)30/h3-10H,2H2,1H3,(H,22,25)