3-methyl-8-nitro-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide

Systemtic Name: 3-methyl-8-nitro-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide Openeye Name: 3-methyl-8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide CAS Name: 3-methyl-8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide IUPAC Name: 3-methyl-8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide Traditional Name: 6-keto-3-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepine-2-sulfonamide Formula: C14H11N3O6S MolecularWeight: 349.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)N)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C14H11N3O6S/c1-7-4-10-12(6-13(7)24(15,21)22)23-11-3-2-8(17(19)20)5-9(11)14(18)16-10/h2-6H,1H3,(H,16,18)(H2,15,21,22)