(3-chloranyl-1-benzothiophen-2-yl)methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 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 (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 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 (3-chlorobenzothiophen-2-yl)methyl ester Formula: C19H13ClN2O6S MolecularWeight: 432.83432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H13ClN2O6S/c20-19-12-3-1-2-4-15(12)29-16(19)9-28-18(24)8-21-13-7-11(22(25)26)5-6-14(13)27-10-17(21)23/h1-7H,8-10H2