4-chloranyl-N-[3-[(4-methoxy-3-nitro-phenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-[(4-methoxy-3-nitro-phenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[3-(4-methoxy-3-nitro-anilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-(4-methoxy-3-nitroanilino)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(4-methoxy-3-nitroanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[3-(4-methoxy-3-nitro-anilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C21H15ClN6O7S MolecularWeight: 530.8978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN6O7S/c1-35-19-9-6-12(10-18(19)28(31)32)23-20-21(25-16-5-3-2-4-15(16)24-20)26-36(33,34)13-7-8-14(22)17(11-13)27(29)30/h2-11H,1H3,(H,23,24)(H,25,26)