(2E)-7-nitro-2-(1H-pyrrol-2-ylmethylidene)-4H-1,4-benzothiazin-3-one

Systemtic Name: (2E)-7-nitro-2-(1H-pyrrol-2-ylmethylidene)-4H-1,4-benzothiazin-3-one Openeye Name: (2E)-7-nitro-2-(1H-pyrrol-2-ylmethylene)-4H-1,4-benzothiazin-3-one CAS Name: (2E)-7-nitro-2-(1H-pyrrol-2-ylmethylidene)-4H-1,4-benzothiazin-3-one IUPAC Name: (2E)-7-nitro-2-(1H-pyrrol-2-ylmethylidene)-4H-1,4-benzothiazin-3-one Traditional Name: (2E)-7-nitro-2-(1H-pyrrol-2-ylmethylene)-4H-1,4-benzothiazin-3-one Formula: C13H9N3O3S MolecularWeight: 287.29386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C=C2C(=O)NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CNC(=C1)/C=C/2\C(=O)NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O3S/c17-13-12(6-8-2-1-5-14-8)20-11-7-9(16(18)19)3-4-10(11)15-13/h1-7,14H,(H,15,17)/b12-6+