(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-nitrobenzoate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-nitrobenzoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 3-nitrobenzoate CAS Name: 3-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 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C18H11N3O5S MolecularWeight: 381.36204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11N3O5S/c22-16-9-12(19-18-20(16)14-6-1-2-7-15(14)27-18)10-26-17(23)11-4-3-5-13(8-11)21(24)25/h1-9H,10H2