2-(3-nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione

Systemtic Name: 2-(3-nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione Openeye Name: 2-(3-nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione CAS Name: 2-(3-nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione IUPAC Name: 2-(3-nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione Traditional Name: 2-(3-nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-quinone Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3C(S2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC3C(S2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O4S/c20-15-13-14(24-12-7-2-1-6-11(12)17-13)16(21)18(15)9-4-3-5-10(8-9)19(22)23/h1-8,13-14,17H