2-benzo[e][1,3]benzothiazol-2-yl-2-nitro-indene-1,3-dione

Systemtic Name: 2-benzo[e][1,3]benzothiazol-2-yl-2-nitro-indene-1,3-dione Openeye Name: 2-benzo[e][1,3]benzothiazol-2-yl-2-nitro-indane-1,3-dione CAS Name: 2-(2-benzo[e][1,3]benzothiazolyl)-2-nitroindene-1,3-dione IUPAC Name: 2-benzo[e][1,3]benzothiazol-2-yl-2-nitroindene-1,3-dione Traditional Name: 2-benzo[e][1,3]benzothiazol-2-yl-2-nitro-indane-1,3-quinone Formula: C20H10N2O4S MolecularWeight: 374.3694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)C4(C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)C4(C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C20H10N2O4S/c23-17-13-7-3-4-8-14(13)18(24)20(17,22(25)26)19-21-16-12-6-2-1-5-11(12)9-10-15(16)27-19/h1-10H