ethyl 2-[9-nitro-1,3,3-tris(oxidanylidene)benzo[e][1,2]benzothiazol-2-yl]ethanoate

Systemtic Name: ethyl 2-[9-nitro-1,3,3-tris(oxidanylidene)benzo[e][1,2]benzothiazol-2-yl]ethanoate Openeye Name: ethyl 2-(9-nitro-1,3,3-trioxo-benzo[e][1,2]benzothiazol-2-yl)acetate CAS Name: 2-(9-nitro-1,3,3-trioxo-2-benzo[e][1,2]benzothiazolyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(9-nitro-1,3,3-trioxobenzo[e][1,2]benzothiazol-2-yl)acetate Traditional Name: 2-(1,3,3-triketo-9-nitro-benzo[e][1,2]benzothiazol-2-yl)acetic acid ethyl ester Formula: C15H12N2O7S MolecularWeight: 364.32998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=C(S1(=O)=O)C=CC3=C2C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=C(S1(=O)=O)C=CC3=C2C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O7S/c1-2-24-12(18)8-16-15(19)14-11(25(16,22)23)7-6-9-4-3-5-10(13(9)14)17(20)21/h3-7H,2,8H2,1H3