N-[3-[(2-methoxy-5-nitro-phenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-[(2-methoxy-5-nitro-phenyl)amino]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(2-methoxy-5-nitro-anilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(2-methoxy-5-nitroanilino)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(2-methoxy-5-nitroanilino)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(2-methoxy-5-nitro-anilino)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C21H16N6O7S MolecularWeight: 496.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6O7S/c1-34-19-10-9-14(27(30)31)12-18(19)24-20-21(23-17-8-3-2-7-16(17)22-20)25-35(32,33)15-6-4-5-13(11-15)26(28)29/h2-12H,1H3,(H,22,24)(H,23,25)