3-nitro-11,11-bis(oxidanylidene)benzo[b][1]benzothiepine-9-carbonitrile

Systemtic Name: 3-nitro-11,11-bis(oxidanylidene)benzo[b][1]benzothiepine-9-carbonitrile Openeye Name: 3-nitro-11,11-dioxo-benzo[b][1]benzothiepine-9-carbonitrile CAS Name: 3-nitro-11,11-dioxo-9-benzo[b][1]benzothiepincarbonitrile IUPAC Name: 3-nitro-11,11-dioxobenzo[b][1]benzothiepine-9-carbonitrile Traditional Name: 11,11-diketo-3-nitro-benzo[b][1]benzothiepin-9-carbonitrile Formula: C15H8N2O4S MolecularWeight: 312.30002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC2=C1C=CC3=C(S2(=O)=O)C=CC(=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H8N2O4S/c16-9-10-1-2-11-3-4-12-8-13(17(18)19)5-6-14(12)22(20,21)15(11)7-10/h1-8H