3,8-dinitro-6-phenyl-benzo[b][1,4]benzothiazepine 11-oxide

Systemtic Name: 3,8-dinitro-6-phenyl-benzo[b][1,4]benzothiazepine 11-oxide Openeye Name: 3,8-dinitro-6-phenyl-benzo[b][1,4]benzothiazepine 11-oxide CAS Name: 3,8-dinitro-6-phenylbenzo[b][1,4]benzothiazepine 11-oxide IUPAC Name: 3,8-dinitro-6-phenylbenzo[b][1,4]benzothiazepine 11-oxide Traditional Name: 3,8-dinitro-6-phenyl-benzo[b][1,4]benzothiazepine 11-oxide Formula: C19H11N3O5S MolecularWeight: 393.37274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)[N+](=O)[O-])S(=O)C4=C2C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)[N+](=O)[O-])S(=O)C4=C2C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H11N3O5S/c23-21(24)13-6-8-17-15(10-13)19(12-4-2-1-3-5-12)20-16-11-14(22(25)26)7-9-18(16)28(17)27/h1-11H