1,3-benzothiazol-2-ylmethyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N3O6S/c22-17-10-26-14-6-5-11(21(24)25)7-13(14)20(17)8-18(23)27-9-16-19-12-3-1-2-4-15(12)28-16/h1-7H,8-10H2