3-methyl-2-morpholin-4-ylsulfonyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 3-methyl-2-morpholin-4-ylsulfonyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 3-methyl-2-morpholinosulfonyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 3-methyl-2-(4-morpholinylsulfonyl)-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 3-methyl-2-morpholin-4-ylsulfonyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 3-methyl-2-morpholinosulfonyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)N3CCOCC3)OC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N3CCOCC3)OC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C18H17N3O7S/c1-11-8-14-16(10-17(11)29(25,26)20-4-6-27-7-5-20)28-15-3-2-12(21(23)24)9-13(15)18(22)19-14/h2-3,8-10H,4-7H2,1H3,(H,19,22)