3-(1,3-benzothiazol-2-yl)-6-nitro-chromen-2-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-nitro-chromen-2-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-nitro-chromen-2-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-nitro-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-nitrochromen-2-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-nitro-coumarin Formula: C16H8N2O4S MolecularWeight: 324.31072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C16H8N2O4S/c19-16-11(15-17-12-3-1-2-4-14(12)23-15)8-9-7-10(18(20)21)5-6-13(9)22-16/h1-8H