N,N-diethyl-3-methyl-9-nitro-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide

Systemtic Name: N,N-diethyl-3-methyl-9-nitro-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide Openeye Name: N,N-diethyl-3-methyl-9-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide CAS Name: N,N-diethyl-3-methyl-9-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide IUPAC Name: N,N-diethyl-3-methyl-9-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide Traditional Name: N,N-diethyl-6-keto-3-methyl-9-nitro-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1C)NC(=O)C3=C(O2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1C)NC(=O)C3=C(O2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-4-20(5-2)28(25,26)17-10-16-14(8-11(17)3)19-18(22)13-7-6-12(21(23)24)9-15(13)27-16/h6-10H,4-5H2,1-3H3,(H,19,22)