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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

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