2,3-dimethoxy-10,12-dinitro-6H-isoquinolino[2,3-c][1,3]benzothiazin-8-one

Systemtic Name: 2,3-dimethoxy-10,12-dinitro-6H-isoquinolino[2,3-c][1,3]benzothiazin-8-one Openeye Name: 2,3-dimethoxy-10,12-dinitro-6H-isoquinolino[2,3-c][1,3]benzothiazin-8-one CAS Name: 2,3-dimethoxy-10,12-dinitro-6H-isoquinolino[2,3-c][1,3]benzothiazin-8-one IUPAC Name: 2,3-dimethoxy-10,12-dinitro-6H-isoquinolino[2,3-c][1,3]benzothiazin-8-one Traditional Name: 2,3-dimethoxy-10,12-dinitro-6H-isoquinolino[2,3-c][1,3]benzothiazin-8-one Formula: C18H13N3O7S MolecularWeight: 415.37672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC4=C(C=C(C=C4C(=O)N3CS2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC4=C(C=C(C=C4C(=O)N3CS2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C18H13N3O7S/c1-27-15-6-12-13-5-10-11(3-9(20(23)24)4-14(10)21(25)26)18(22)19(13)8-29-17(12)7-16(15)28-2/h3-7H,8H2,1-2H3