ethyl 4-[[3-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[3-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[3-[(4-chloro-3-nitro-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate CAS Name: 4-[[3-[(4-chloro-3-nitrophenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-chloro-3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate Traditional Name: 4-[[3-[(4-chloro-3-nitro-phenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid ethyl ester Formula: C23H18ClN5O6S MolecularWeight: 527.93692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClN5O6S/c1-2-35-23(30)14-7-9-15(10-8-14)25-21-22(27-19-6-4-3-5-18(19)26-21)28-36(33,34)16-11-12-17(24)20(13-16)29(31)32/h3-13H,2H2,1H3,(H,25,26)(H,27,28)