N-(2-methoxy-6-nitro-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2-methoxy-6-nitro-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-methoxy-6-nitro-phenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-methoxy-6-nitrophenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-(2-methoxy-6-nitrophenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-(2-methoxy-6-nitro-phenyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S/c1-29-16-7-4-6-15(24(27)28)19(16)23-20(25)12-9-10-18-14(11-12)22-21(26)13-5-2-3-8-17(13)30-18/h2-11H,1H3,(H,22,26)(H,23,25)