2-methyl-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-(5-methyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-(5-methyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-5-nitrobenzenesulfonamide Traditional Name: N-(6-keto-5-methyl-benzo[b][1,4]benzoxazepin-8-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4N(C3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4N(C3=O)C

InChI

InChI=1S/C21H17N3O6S/c1-13-7-9-15(24(26)27)12-20(13)31(28,29)22-14-8-10-18-16(11-14)21(25)23(2)17-5-3-4-6-19(17)30-18/h3-12,22H,1-2H3