N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-nitro-benzenesulfonamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-nitrobenzenesulfonamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-nitro-benzenesulfonamide Formula: C20H15N3O6S MolecularWeight: 425.4146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C20H15N3O6S/c1-12-6-8-18-15(10-12)21-20(24)14-11-13(7-9-17(14)29-18)22-30(27,28)19-5-3-2-4-16(19)23(25)26/h2-11,22H,1H3,(H,21,24)