(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-chloranyl-2-nitro-benzoate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-chloranyl-2-nitro-benzoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester IUPAC Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C18H10ClN3O5S MolecularWeight: 415.8071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H10ClN3O5S/c19-10-5-6-12(14(7-10)22(25)26)17(24)27-9-11-8-16(23)21-13-3-1-2-4-15(13)28-18(21)20-11/h1-8H,9H2